2-acetyl-4-chlorobenzamide

C9H8ClNO2 — CID 157282795

IUPAC2-acetyl-4-chlorobenzamide
SMILESCC(=O)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C9H8ClNO2/c1-5(12)8-4-6(10)2-3-7(8)9(11)13/h2-4H,1H3,(H2,11,13)
InChIKeyNFLDIWSHGPQHIH-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.64
Rot. Bonds2

About 2-acetyl-4-chlorobenzamide

2-acetyl-4-chlorobenzamide (PubChem CID 157282795) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-acetyl-4-chlorobenzamide.

Molecular Properties

Compound Name2-acetyl-4-chlorobenzamide
PubChem CID157282795
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-acetyl-4-chlorobenzamide
SMILESCC(=O)c1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C9H8ClNO2/c1-5(12)8-4-6(10)2-3-7(8)9(11)13/h2-4H,1H3,(H2,11,13)
InChIKeyNFLDIWSHGPQHIH-UHFFFAOYSA-N
XLogP1.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbamoyl-5-chlorobenzoic acid
CID 57087443
2-acetyl-5-chlorobenzoic acid
CID 11229391
2-acetyl-4-methylbenzamide
CID 163253724
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
5-chloro-2-(pentafluoro-λ6-sulfanyl)benzamide
CID 66523568
4-chloro-2-methoxybenzamide
CID 19741766
2-acetyl-5-carbamoylterephthalic acid
CID 123957028
3,4-diacetylbenzamide
CID 70447380
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
4-chloro-1-N-(3,4-dimethylphenyl)benzene-1,2-dicarboxamide
CID 70116493
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651099

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-chlorobenzamide?
The IUPAC name of 2-acetyl-4-chlorobenzamide (CID 157282795) is 2-acetyl-4-chlorobenzamide.
What is the SMILES notation for 2-acetyl-4-chlorobenzamide?
The canonical SMILES for 2-acetyl-4-chlorobenzamide is CC(=O)c1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 2-acetyl-4-chlorobenzamide?
The InChIKey is NFLDIWSHGPQHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-5(12)8-4-6(10)2-3-7(8)9(11)13/h2-4H,1H3,(H2,11,13).
What are the key properties of 2-acetyl-4-chlorobenzamide?
2-acetyl-4-chlorobenzamide has a molecular weight of 197.62 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-chlorobenzamide is sourced from PubChem (CID 157282795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).