N-acetyl-4-chlorobenzamide

C9H8ClNO2 — CID 11735747

IUPACN-acetyl-4-chlorobenzamide
SMILESCC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c1-6(12)11-9(13)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13)
InChIKeyJCHMLZVBGIWMCZ-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.62
Rot. Bonds1

About N-acetyl-4-chlorobenzamide

N-acetyl-4-chlorobenzamide (PubChem CID 11735747) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is N-acetyl-4-chlorobenzamide.

Molecular Properties

Compound NameN-acetyl-4-chlorobenzamide
PubChem CID11735747
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC NameN-acetyl-4-chlorobenzamide
SMILESCC(=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO2/c1-6(12)11-9(13)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13)
InChIKeyJCHMLZVBGIWMCZ-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N'-acetyl-4-chlorobenzohydrazide
CID 799230
N-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
4-chloro-N-(methylcarbamothioyl)benzamide
CID 4948495
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-chloro-N-(1-cyano-2-methylprop-1-enyl)benzamide
CID 110192763
4-chloro-N-hydroxybenzamide
CID 587178
4-chloro-N-propan-2-ylbenzamide
CID 24045
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
CID 121221706
N-[(carbamothioylamino)carbamothioyl]-4-chlorobenzamide
CID 3545072
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273

Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-chlorobenzamide?
The IUPAC name of N-acetyl-4-chlorobenzamide (CID 11735747) is N-acetyl-4-chlorobenzamide.
What is the SMILES notation for N-acetyl-4-chlorobenzamide?
The canonical SMILES for N-acetyl-4-chlorobenzamide is CC(=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-acetyl-4-chlorobenzamide?
The InChIKey is JCHMLZVBGIWMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-6(12)11-9(13)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of N-acetyl-4-chlorobenzamide?
N-acetyl-4-chlorobenzamide has a molecular weight of 197.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-chlorobenzamide is sourced from PubChem (CID 11735747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).