dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride

C64H86Cl4F13N11O7 — CID 159630160

IUPACdichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride
SMILESCCN(CC)CC.CCN(CC)c1ccc(C(F)(F)F)cc1N.CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1.CCN(CC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CCNCC.CO.Cl.ClCCl.O=C(Cl)c1ccncc1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H18F3N3O.C11H13F3N2O2.C11H15F3N2.C7H3F4NO2.C6H4ClNO.C6H15N.C4H11N.CH2Cl2.CH4O.ClH/c1-3-23(4-2)15-6-5-13(17(18,19)20)11-14(15)22-16(24)12-7-9-21-10-8-12;1-3-15(4-2)9-6-5-8(11(12,13)14)7-10(9)16(17)18;1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14;8-5-2-1-4(7(9,10)11)3-6(5)12(13)14;7-6(9)5-1-3-8-4-2-5;1-4-7(5-2)6-3;1-3-5-4-2;2-1-3;1-2;/h5-11H,3-4H2,1-2H3,(H,22,24);5-7H,3-4H2,1-2H3;5-7H,3-4,15H2,1-2H3;1-3H;1-4H;4-6H2,1-3H3;5H,3-4H2,1-2H3;1H2;2H,1H3;1H
InChIKeyYUBJUOCKIJFFIE-UHFFFAOYSA-N
MW1510.25 g/mol
LogP18.42
Rot. Bonds19

About dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride

dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride (PubChem CID 159630160) has the molecular formula C64H86Cl4F13N11O7 and a molecular weight of 1510.25 g/mol. Its IUPAC name is dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Namedichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride
PubChem CID159630160
Molecular FormulaC64H86Cl4F13N11O7
Molecular Weight1510.25 g/mol
Exact Mass1507.53
IUPAC Namedichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride
SMILESCCN(CC)CC.CCN(CC)c1ccc(C(F)(F)F)cc1N.CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1.CCN(CC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CCNCC.CO.Cl.ClCCl.O=C(Cl)c1ccncc1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H18F3N3O.C11H13F3N2O2.C11H15F3N2.C7H3F4NO2.C6H4ClNO.C6H15N.C4H11N.CH2Cl2.CH4O.ClH/c1-3-23(4-2)15-6-5-13(17(18,19)20)11-14(15)22-16(24)12-7-9-21-10-8-12;1-3-15(4-2)9-6-5-8(11(12,13)14)7-10(9)16(17)18;1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14;8-5-2-1-4(7(9,10)11)3-6(5)12(13)14;7-6(9)5-1-3-8-4-2-5;1-4-7(5-2)6-3;1-3-5-4-2;2-1-3;1-2;/h5-11H,3-4H2,1-2H3,(H,22,24);5-7H,3-4H2,1-2H3;5-7H,3-4,15H2,1-2H3;1-3H;1-4H;4-6H2,1-3H3;5H,3-4H2,1-2H3;1H2;2H,1H3;1H
InChIKeyYUBJUOCKIJFFIE-UHFFFAOYSA-N
XLogP18.42
TPSA229.47 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.25
LogP ≤ 518.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride with MolForge

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Related Compounds

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
bis(2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-(trifluoromethyl)aniline);N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4aR,8aS)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;deuterio(fluoro)methane;dichloromethane;N,N-diethylethanamine;ethyl acetate;N-ethyl-N-propan-2-ylpropan-2-amine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;pyridine-4-carbonyl chloride;hydrochloride
CID 157261278
dichloromethane;N,N-diethylethanamine;pyridine-4-carbonyl chloride;3-(trifluoromethyl)aniline;N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 158943435
dichloromethane;N,N-diethylethanamine;4-methoxybenzoyl chloride;4-methoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;2-piperidin-1-yl-5-(trifluoromethyl)aniline
CID 158591700
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
CID 91675984
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25414352
N-[2-amino-6-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 154292912
4-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26181661
4-acetamido-N-[2-nitro-4-(trifluoromethyl)phenyl]benzamide
CID 90064329
N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 142550208
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride?
The IUPAC name of dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride (CID 159630160) is dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride.
What is the SMILES notation for dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride?
The canonical SMILES for dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride is CCN(CC)CC.CCN(CC)c1ccc(C(F)(F)F)cc1N.CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1.CCN(CC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-].CCNCC.CO.Cl.ClCCl.O=C(Cl)c1ccncc1.O=[N+]([O-])c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride?
The InChIKey is YUBJUOCKIJFFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O.C11H13F3N2O2.C11H15F3N2.C7H3F4NO2.C6H4ClNO.C6H15N.C4H11N.CH2Cl2.CH4O.ClH/c1-3-23(4-2)15-6-5-13(17(18,19)20)11-14(15)22-16(24)12-7-9-21-10-8-12;1-3-15(4-2)9-6-5-8(11(12,13)14)7-10(9)16(17)18;1-3-16(4-2)10-6-5-8(7-9(10)15)11(12,13)14;8-5-2-1-4(7(9,10)11)3-6(5)12(13)14;7-6(9)5-1-3-8-4-2-5;1-4-7(5-2)6-3;1-3-5-4-2;2-1-3;1-2;/h5-11H,3-4H2,1-2H3,(H,22,24);5-7H,3-4H2,1-2H3;5-7H,3-4,15H2,1-2H3;1-3H;1-4H;4-6H2,1-3H3;5H,3-4H2,1-2H3;1H2;2H,1H3;1H.
What are the key properties of dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride?
dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride has a molecular weight of 1510.25 g/mol, XLogP of 18.42, 19 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide;N,N-diethylethanamine;N,N-diethyl-2-nitro-4-(trifluoromethyl)aniline;1-N,1-N-diethyl-4-(trifluoromethyl)benzene-1,2-diamine;N-ethylethanamine;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;methanol;pyridine-4-carbonyl chloride;hydrochloride is sourced from PubChem (CID 159630160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).