N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide

C19H14ClF2N3O2 — CID 113019113

IUPACN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1Cl
InChIInChI=1S/C19H14ClF2N3O2/c1-27-17-6-3-12(9-14(17)20)24-18-7-4-13(10-23-18)25-19(26)11-2-5-15(21)16(22)8-11/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyVLNIHLSRRNDEGR-UHFFFAOYSA-N
MW389.79 g/mol
LogP5.02
Rot. Bonds5

About N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113019113) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
PubChem CID113019113
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1Cl
InChIInChI=1S/C19H14ClF2N3O2/c1-27-17-6-3-12(9-14(17)20)24-18-7-4-13(10-23-18)25-19(26)11-2-5-15(21)16(22)8-11/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyVLNIHLSRRNDEGR-UHFFFAOYSA-N
XLogP5.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.79
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
methyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019008
6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide (CID 113019113) is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is VLNIHLSRRNDEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-27-17-6-3-12(9-14(17)20)24-18-7-4-13(10-23-18)25-19(26)11-2-5-15(21)16(22)8-11/h2-10H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide?
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide has a molecular weight of 389.79 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113019113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).