N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide

C14H11ClF2N2O — CID 118740695

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccncc1F
InChIInChI=1S/C14H11ClF2N2O/c1-19(8-9-2-3-11(15)12(16)6-9)14(20)10-4-5-18-7-13(10)17/h2-7H,8H2,1H3
InChIKeyHCJMNVZZRSJRFL-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.29
Rot. Bonds3

About N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 118740695) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID118740695
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccncc1F
InChIInChI=1S/C14H11ClF2N2O/c1-19(8-9-2-3-11(15)12(16)6-9)14(20)10-4-5-18-7-13(10)17/h2-7H,8H2,1H3
InChIKeyHCJMNVZZRSJRFL-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64950094
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 118740695) is N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide is CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccncc1F.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is HCJMNVZZRSJRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c1-19(8-9-2-3-11(15)12(16)6-9)14(20)10-4-5-18-7-13(10)17/h2-7H,8H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide?
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 296.70 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 118740695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).