2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

C14H11F3N2O — CID 105380305

IUPAC2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H11F3N2O/c1-19(8-9-3-2-4-10(15)7-9)14(20)11-5-6-18-13(17)12(11)16/h2-7H,8H2,1H3
InChIKeySWVXJEBHXNNNTB-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.77
Rot. Bonds3

About 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 105380305) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID105380305
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H11F3N2O/c1-19(8-9-3-2-4-10(15)7-9)14(20)11-5-6-18-13(17)12(11)16/h2-7H,8H2,1H3
InChIKeySWVXJEBHXNNNTB-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.77
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

2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61376480
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 105380305) is 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is SWVXJEBHXNNNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-19(8-9-3-2-4-10(15)7-9)14(20)11-5-6-18-13(17)12(11)16/h2-7H,8H2,1H3.
What are the key properties of 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105380305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).