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

C14H12ClFN2O — CID 53016447

IUPAC5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O/c1-18(9-10-4-6-17-7-5-10)14(19)12-8-11(15)2-3-13(12)16/h2-8H,9H2,1H3
InChIKeyJIQVEBKQSKHTRM-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.15
Rot. Bonds3

About 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide

5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 53016447) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID53016447
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12ClFN2O/c1-18(9-10-4-6-17-7-5-10)14(19)12-8-11(15)2-3-13(12)16/h2-8H,9H2,1H3
InChIKeyJIQVEBKQSKHTRM-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-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 171908393
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 53016447) is 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide is CN(Cc1ccncc1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is JIQVEBKQSKHTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-18(9-10-4-6-17-7-5-10)14(19)12-8-11(15)2-3-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-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 5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 53016447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).