4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane

C74H76Cl6F6N12O10 — CID 158127825

IUPAC4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane
SMILESC.C.C.C.Cc1cc(NC(=O)Nc2ccc(O)cc2)ccc1Cl.N#COc1ccc(Cl)c(C(F)(F)F)c1.Nc1ccc(Cl)c(C(F)(F)F)c1.Nc1ccc(O)cc1.O=COCc1cc(Cl)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Cl)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C21H19ClN4O3.C14H13ClN2O2.C8H3ClF3NO.C7H5ClF3N.C7H7ClN2O.C7H6ClNO2.C6H7NO.4CH4/c1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-9-8-11(4-7-13(9)15)17-14(19)16-10-2-5-12(18)6-3-10;9-7-2-1-5(14-4-13)3-6(7)8(10,11)12;8-6-2-1-4(12)3-5(6)7(9,10)11;1-9-7(11)6-4-5(8)2-3-10-6;8-6-1-2-9-7(3-6)4-11-5-10;7-5-1-3-6(8)4-2-5;;;;/h3-12H,1-2H3,(H,23,27)(H2,25,26,28);2-8,18H,1H3,(H2,16,17,19);1-3H;1-3H,12H2;2-4H,1H3,(H,9,11);1-3,5H,4H2;1-4,8H,7H2;4*1H4/i2D3;;;;1D3;;;;;;
InChIKeyFSKCWMQAKOWKGV-QZYLXHMWSA-N
MW1626.24 g/mol
LogP21.02
Rot. Bonds14

About 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane

4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane (PubChem CID 158127825) has the molecular formula C74H76Cl6F6N12O10 and a molecular weight of 1626.24 g/mol. Its IUPAC name is 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane.

Molecular Properties

Compound Name4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane
PubChem CID158127825
Molecular FormulaC74H76Cl6F6N12O10
Molecular Weight1626.24 g/mol
Exact Mass1622.42
IUPAC Name4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane
SMILESC.C.C.C.Cc1cc(NC(=O)Nc2ccc(O)cc2)ccc1Cl.N#COc1ccc(Cl)c(C(F)(F)F)c1.Nc1ccc(Cl)c(C(F)(F)F)c1.Nc1ccc(O)cc1.O=COCc1cc(Cl)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Cl)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C21H19ClN4O3.C14H13ClN2O2.C8H3ClF3NO.C7H5ClF3N.C7H7ClN2O.C7H6ClNO2.C6H7NO.4CH4/c1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-9-8-11(4-7-13(9)15)17-14(19)16-10-2-5-12(18)6-3-10;9-7-2-1-5(14-4-13)3-6(7)8(10,11)12;8-6-2-1-4(12)3-5(6)7(9,10)11;1-9-7(11)6-4-5(8)2-3-10-6;8-6-1-2-9-7(3-6)4-11-5-10;7-5-1-3-6(8)4-2-5;;;;/h3-12H,1-2H3,(H,23,27)(H2,25,26,28);2-8,18H,1H3,(H2,16,17,19);1-3H;1-3H,12H2;2-4H,1H3,(H,9,11);1-3,5H,4H2;1-4,8H,7H2;4*1H4/i2D3;;;;1D3;;;;;;
InChIKeyFSKCWMQAKOWKGV-QZYLXHMWSA-N
XLogP21.02
TPSA340.18 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001626.24
LogP ≤ 521.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane?
The IUPAC name of 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane (CID 158127825) is 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane.
What is the SMILES notation for 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane?
The canonical SMILES for 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane is C.C.C.C.Cc1cc(NC(=O)Nc2ccc(O)cc2)ccc1Cl.N#COc1ccc(Cl)c(C(F)(F)F)c1.Nc1ccc(Cl)c(C(F)(F)F)c1.Nc1ccc(O)cc1.O=COCc1cc(Cl)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Cl)ccn1.[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.
What is the InChIKey of 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane?
The InChIKey is FSKCWMQAKOWKGV-QZYLXHMWSA-N. The full InChI is InChI=1S/C21H19ClN4O3.C14H13ClN2O2.C8H3ClF3NO.C7H5ClF3N.C7H7ClN2O.C7H6ClNO2.C6H7NO.4CH4/c1-13-11-15(5-8-18(13)22)26-21(28)25-14-3-6-16(7-4-14)29-17-9-10-24-19(12-17)20(27)23-2;1-9-8-11(4-7-13(9)15)17-14(19)16-10-2-5-12(18)6-3-10;9-7-2-1-5(14-4-13)3-6(7)8(10,11)12;8-6-2-1-4(12)3-5(6)7(9,10)11;1-9-7(11)6-4-5(8)2-3-10-6;8-6-1-2-9-7(3-6)4-11-5-10;7-5-1-3-6(8)4-2-5;;;;/h3-12H,1-2H3,(H,23,27)(H2,25,26,28);2-8,18H,1H3,(H2,16,17,19);1-3H;1-3H,12H2;2-4H,1H3,(H,9,11);1-3,5H,4H2;1-4,8H,7H2;4*1H4/i2D3;;;;1D3;;;;;;.
What are the key properties of 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane?
4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane has a molecular weight of 1626.24 g/mol, XLogP of 21.02, 14 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminophenol;4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;1-(4-chloro-3-methylphenyl)-3-(4-hydroxyphenyl)urea;(4-chloro-2-pyridinyl)methyl formate;4-chloro-N-(trideuteriomethyl)pyridine-2-carboxamide;4-chloro-3-(trifluoromethyl)aniline;[4-chloro-3-(trifluoromethyl)phenyl] cyanate;methane is sourced from PubChem (CID 158127825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).