1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide

C21H18ClFN2O2 — CID 8671332

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H18ClFN2O2/c1-2-25(16-7-4-3-5-8-16)21(27)15-11-12-20(26)24(13-15)14-17-18(22)9-6-10-19(17)23/h3-13H,2,14H2,1H3
InChIKeyZZUCEEBKQYBZSO-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.36
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 8671332) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
PubChem CID8671332
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H18ClFN2O2/c1-2-25(16-7-4-3-5-8-16)21(27)15-11-12-20(26)24(13-15)14-17-18(22)9-6-10-19(17)23/h3-13H,2,14H2,1H3
InChIKeyZZUCEEBKQYBZSO-UHFFFAOYSA-N
XLogP4.36
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26843899
N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582644
N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671308
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
N-ethyl-N-(3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671252
N-ethyl-N-(3-methylphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8698060
N-ethyl-N-(3-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698112
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049781
1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 3564299
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
1-[(2-chloro-6-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771888
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide (CID 8671332) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide is CCN(C(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1)c1ccccc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is ZZUCEEBKQYBZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c1-2-25(16-7-4-3-5-8-16)21(27)15-11-12-20(26)24(13-15)14-17-18(22)9-6-10-19(17)23/h3-13H,2,14H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 8671332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).