4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H12ClFN2O — CID 86824171

IUPAC4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O/c1-18(9-11-4-2-3-7-17-11)14(19)12-6-5-10(15)8-13(12)16/h2-8H,9H2,1H3
InChIKeyOUEHEWNILDJXCI-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide

4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 86824171) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID86824171
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O/c1-18(9-11-4-2-3-7-17-11)14(19)12-6-5-10(15)8-13(12)16/h2-8H,9H2,1H3
InChIKeyOUEHEWNILDJXCI-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 107120541
N-(4-chlorophenyl)-2-fluoro-4-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 55889212
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 86824171) is 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is OUEHEWNILDJXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-18(9-11-4-2-3-7-17-11)14(19)12-6-5-10(15)8-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 278.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 86824171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).