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

C19H15ClFN3O2 — CID 113019095

IUPACN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1Cl
InChIInChI=1S/C19H15ClFN3O2/c1-26-17-8-6-14(10-16(17)20)23-18-9-7-15(11-22-18)24-19(25)12-2-4-13(21)5-3-12/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyQYIKBFNQDCQMKX-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.88
Rot. Bonds5

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

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide (PubChem CID 113019095) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
PubChem CID113019095
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1Cl
InChIInChI=1S/C19H15ClFN3O2/c1-26-17-8-6-14(10-16(17)20)23-18-9-7-15(11-22-18)24-19(25)12-2-4-13(21)5-3-12/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyQYIKBFNQDCQMKX-UHFFFAOYSA-N
XLogP4.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-(3-chloro-4-methoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826642
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide (CID 113019095) is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is QYIKBFNQDCQMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-26-17-8-6-14(10-16(17)20)23-18-9-7-15(11-22-18)24-19(25)12-2-4-13(21)5-3-12/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide?
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide has a molecular weight of 371.80 g/mol, XLogP of 4.88, 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]-4-fluorobenzamide is sourced from PubChem (CID 113019095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).