1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

C77H54Cl4F12N20O13 — CID 159196460

IUPAC1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESNc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1.Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1N.Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1[N+](=O)[O-].O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C=Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N5O3.C19H13ClF3N5O4.C19H15ClF3N5O2.C11H10N4O3.C8H3ClF3NO/c21-14-6-3-11(9-13(14)20(22,23)24)27-18(30)26-10-1-4-12(5-2-10)32-15-7-8-25-17-16(15)28-19(31)29-17;20-14-6-3-11(9-13(14)19(21,22)23)27-18(29)26-10-1-4-12(5-2-10)32-15-7-8-25-17(24)16(15)28(30)31;20-14-6-3-11(9-13(14)19(21,22)23)28-18(29)27-10-1-4-12(5-2-10)30-15-7-8-26-17(25)16(15)24;12-7-1-3-8(4-2-7)18-9-5-6-14-11(13)10(9)15(16)17;9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-9H,(H2,26,27,30)(H2,25,28,29,31);1-9H,(H2,24,25)(H2,26,27,29);1-9H,24H2,(H2,25,26)(H2,27,28,29);1-6H,12H2,(H2,13,14);1-3H
InChIKeyKOSLUWJDDDBLII-UHFFFAOYSA-N
MW1837.19 g/mol
LogP21.67
Rot. Bonds17

About 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea

1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 159196460) has the molecular formula C77H54Cl4F12N20O13 and a molecular weight of 1837.19 g/mol. Its IUPAC name is 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID159196460
Molecular FormulaC77H54Cl4F12N20O13
Molecular Weight1837.19 g/mol
Exact Mass1834.27
IUPAC Name1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESNc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1.Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1N.Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1[N+](=O)[O-].O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C=Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N5O3.C19H13ClF3N5O4.C19H15ClF3N5O2.C11H10N4O3.C8H3ClF3NO/c21-14-6-3-11(9-13(14)20(22,23)24)27-18(30)26-10-1-4-12(5-2-10)32-15-7-8-25-17-16(15)28-19(31)29-17;20-14-6-3-11(9-13(14)19(21,22)23)27-18(29)26-10-1-4-12(5-2-10)32-15-7-8-25-17(24)16(15)28(30)31;20-14-6-3-11(9-13(14)19(21,22)23)28-18(29)27-10-1-4-12(5-2-10)30-15-7-8-26-17(25)16(15)24;12-7-1-3-8(4-2-7)18-9-5-6-14-11(13)10(9)15(16)17;9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-9H,(H2,26,27,30)(H2,25,28,29,31);1-9H,(H2,24,25)(H2,26,27,29);1-9H,24H2,(H2,25,26)(H2,27,28,29);1-6H,12H2,(H2,13,14);1-3H
InChIKeyKOSLUWJDDDBLII-UHFFFAOYSA-N
XLogP21.67
TPSA506.33 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001837.19
LogP ≤ 521.67
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]urea
CID 46228792
4-chloro-3-(trifluoromethyl)aniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(3-ethylphenoxy)phenyl]urea;4-(3-ethylphenoxy)aniline;methane
CID 158022297
3-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 71542471
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(6-methoxyquinolin-4-yl)oxyphenyl]urea
CID 46198423
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 42625165
1-[4-(4-chloropyrimidin-2-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 91587376
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-oxopyridine-2-carboxamide
CID 151804255
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684
tert-butyl N-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]carbamate
CID 155586353
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxyphenyl]urea
CID 24850090
N-[3-[(2-amino-3-nitro-4-pyridinyl)oxy]-5-chlorophenyl]-3-(trifluoromethoxy)benzamide
CID 45140537
1-[4-(6-chloropyrimidin-4-yl)oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 58659336

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 159196460) is 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is Nc1ccc(Oc2ccnc(N)c2[N+](=O)[O-])cc1.Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1N.Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1[N+](=O)[O-].O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C=Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is KOSLUWJDDDBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O3.C19H13ClF3N5O4.C19H15ClF3N5O2.C11H10N4O3.C8H3ClF3NO/c21-14-6-3-11(9-13(14)20(22,23)24)27-18(30)26-10-1-4-12(5-2-10)32-15-7-8-25-17-16(15)28-19(31)29-17;20-14-6-3-11(9-13(14)19(21,22)23)27-18(29)26-10-1-4-12(5-2-10)32-15-7-8-25-17(24)16(15)28(30)31;20-14-6-3-11(9-13(14)19(21,22)23)28-18(29)27-10-1-4-12(5-2-10)30-15-7-8-26-17(25)16(15)24;12-7-1-3-8(4-2-7)18-9-5-6-14-11(13)10(9)15(16)17;9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-9H,(H2,26,27,30)(H2,25,28,29,31);1-9H,(H2,24,25)(H2,26,27,29);1-9H,24H2,(H2,25,26)(H2,27,28,29);1-6H,12H2,(H2,13,14);1-3H.
What are the key properties of 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 1837.19 g/mol, XLogP of 21.67, 17 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-3-nitro-4-pyridinyl)oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;4-(4-aminophenoxy)-3-nitropyridin-2-amine;1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2,3-diamino-4-pyridinyl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 159196460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).