4-acetamidobenzoyl chloride

C9H8ClNO2 — CID 7010341

IUPAC4-acetamidobenzoyl chloride
SMILESCC(=O)Nc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H8ClNO2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H,11,12)
InChIKeyKRKXGCJUNKZXOY-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.02
Rot. Bonds2

About 4-acetamidobenzoyl chloride

4-acetamidobenzoyl chloride (PubChem CID 7010341) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-acetamidobenzoyl chloride.

Molecular Properties

Compound Name4-acetamidobenzoyl chloride
PubChem CID7010341
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name4-acetamidobenzoyl chloride
SMILESCC(=O)Nc1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H8ClNO2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H,11,12)
InChIKeyKRKXGCJUNKZXOY-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
4-acetamidobenzenecarbothioic S-acid
CID 86154982
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
4-(4-acetamidoanilino)benzoic acid
CID 11425691
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
N-(4-methylphenyl)acetamide
CID 7684
N-(4-ethanehydrazonoylphenyl)acetamide
CID 149149962
N-[4-(1-acetamidoethenyl)phenyl]acetamide
CID 102524968
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176

Frequently Asked Questions

What is the IUPAC name of 4-acetamidobenzoyl chloride?
The IUPAC name of 4-acetamidobenzoyl chloride (CID 7010341) is 4-acetamidobenzoyl chloride.
What is the SMILES notation for 4-acetamidobenzoyl chloride?
The canonical SMILES for 4-acetamidobenzoyl chloride is CC(=O)Nc1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-acetamidobenzoyl chloride?
The InChIKey is KRKXGCJUNKZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h2-5H,1H3,(H,11,12).
What are the key properties of 4-acetamidobenzoyl chloride?
4-acetamidobenzoyl chloride has a molecular weight of 197.62 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidobenzoyl chloride is sourced from PubChem (CID 7010341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).