N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide

C15H14ClFN2O — CID 107358643

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1cccnc1F
InChIInChI=1S/C15H14ClFN2O/c1-2-19(10-11-5-3-6-12(16)9-11)15(20)13-7-4-8-18-14(13)17/h3-9H,2,10H2,1H3
InChIKeyQNPZSZJQKKCFCO-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.54
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide (PubChem CID 107358643) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
PubChem CID107358643
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1cccnc1F
InChIInChI=1S/C15H14ClFN2O/c1-2-19(10-11-5-3-6-12(16)9-11)15(20)13-7-4-8-18-14(13)17/h3-9H,2,10H2,1H3
InChIKeyQNPZSZJQKKCFCO-UHFFFAOYSA-N
XLogP3.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
2,4-diamino-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
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2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
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1-[2-[(3-chlorophenyl)methyl-methylamino]-3-pyridinyl]ethanone
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CID 103514771
N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717535
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62179083
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 171547530
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide (CID 107358643) is N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide is CCN(Cc1cccc(Cl)c1)C(=O)c1cccnc1F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide?
The InChIKey is QNPZSZJQKKCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-2-19(10-11-5-3-6-12(16)9-11)15(20)13-7-4-8-18-14(13)17/h3-9H,2,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide has a molecular weight of 292.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).