N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide

C20H17ClFN3O2 — CID 113019115

IUPACN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)cn2)cc1Cl
InChIInChI=1S/C20H17ClFN3O2/c1-27-18-7-5-15(11-17(18)21)24-19-8-6-16(12-23-19)25-20(26)10-13-3-2-4-14(22)9-13/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyLHOMDBFCVIOGDC-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.81
Rot. Bonds6

About N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113019115) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
PubChem CID113019115
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)cn2)cc1Cl
InChIInChI=1S/C20H17ClFN3O2/c1-27-18-7-5-15(11-17(18)21)24-19-8-6-16(12-23-19)25-20(26)10-13-3-2-4-14(22)9-13/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyLHOMDBFCVIOGDC-UHFFFAOYSA-N
XLogP4.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
N-(6-anilino-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 113016055
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113020115
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113022288
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113017296
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide (CID 113019115) is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3cccc(F)c3)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is LHOMDBFCVIOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-27-18-7-5-15(11-17(18)21)24-19-8-6-16(12-23-19)25-20(26)10-13-3-2-4-14(22)9-13/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 385.83 g/mol, XLogP of 4.81, 6 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]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113019115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).