5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide

C15H14ClFN2O — CID 77080919

IUPAC5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(c1cccnc1)N(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFN2O/c1-10(11-4-3-7-18-9-11)19(2)15(20)13-8-12(16)5-6-14(13)17/h3-10H,1-2H3
InChIKeyJGCSFLZIXNVWPX-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.71
Rot. Bonds3

About 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide

5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 77080919) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID77080919
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(c1cccnc1)N(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFN2O/c1-10(11-4-3-7-18-9-11)19(2)15(20)13-8-12(16)5-6-14(13)17/h3-10H,1-2H3
InChIKeyJGCSFLZIXNVWPX-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
CID 105069956
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
CID 124614857
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565
N-(3-chloro-4-fluorophenyl)-N'-methyl-N'-(1-pyridin-3-ylethyl)butanediamide
CID 50962204
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
CID 55509693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide (CID 77080919) is 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide is CC(c1cccnc1)N(C)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is JGCSFLZIXNVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-10(11-4-3-7-18-9-11)19(2)15(20)13-8-12(16)5-6-14(13)17/h3-10H,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide?
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 292.74 g/mol, XLogP of 3.71, 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-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 77080919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).