3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide

C15H13ClF2N2O — CID 66483932

IUPAC3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H13ClF2N2O/c1-2-20(9-10-3-4-13(17)14(18)7-10)15(21)11-5-6-19-8-12(11)16/h3-8H,2,9H2,1H3
InChIKeyOFWQQKYRHPDITA-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.68
Rot. Bonds4

About 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide

3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide (PubChem CID 66483932) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
PubChem CID66483932
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1ccncc1Cl
InChIInChI=1S/C15H13ClF2N2O/c1-2-20(9-10-3-4-13(17)14(18)7-10)15(21)11-5-6-19-8-12(11)16/h3-8H,2,9H2,1H3
InChIKeyOFWQQKYRHPDITA-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
CID 107244907
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
2,3-dichloro-N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 166428357
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
5-chloro-N-ethyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 114922658

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide (CID 66483932) is 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide?
The InChIKey is OFWQQKYRHPDITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-2-20(9-10-3-4-13(17)14(18)7-10)15(21)11-5-6-19-8-12(11)16/h3-8H,2,9H2,1H3.
What are the key properties of 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide?
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide has a molecular weight of 310.73 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 66483932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).