2-chloro-N-phenacylbenzamide

C15H12ClNO2 — CID 795697

IUPAC2-chloro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
InChIKeyNTIXAROVDYZUSJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-N-phenacylbenzamide

2-chloro-N-phenacylbenzamide (PubChem CID 795697) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-N-phenacylbenzamide.

Molecular Properties

Compound Name2-chloro-N-phenacylbenzamide
PubChem CID795697
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-chloro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19)
InChIKeyNTIXAROVDYZUSJ-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chlorobenzoyl)glycine
CID 26009
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-Phenacylbenzamide
CID 259631
Jnj-63533054
CID 2548547
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-fluoro-N-(2-oxo-2-phenylethyl)benzamide
CID 796031
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
N-Benzyl-2-chloro-benzamide
CID 347073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenacylbenzamide?
The IUPAC name of 2-chloro-N-phenacylbenzamide (CID 795697) is 2-chloro-N-phenacylbenzamide.
What is the SMILES notation for 2-chloro-N-phenacylbenzamide?
The canonical SMILES for 2-chloro-N-phenacylbenzamide is O=C(CNC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-phenacylbenzamide?
The InChIKey is NTIXAROVDYZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-9-5-4-8-12(13)15(19)17-10-14(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,19).
What are the key properties of 2-chloro-N-phenacylbenzamide?
2-chloro-N-phenacylbenzamide has a molecular weight of 273.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenacylbenzamide is sourced from PubChem (CID 795697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).