2-acetamidobenzoyl chloride

C9H8ClNO2 — CID 12520814

IUPAC2-acetamidobenzoyl chloride
SMILESCC(=O)Nc1ccccc1C(=O)Cl
InChIInChI=1S/C9H8ClNO2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H,11,12)
InChIKeyAGFBPSXNYPNSKX-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.02
Rot. Bonds2

About 2-acetamidobenzoyl chloride

2-acetamidobenzoyl chloride (PubChem CID 12520814) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 2-acetamidobenzoyl chloride.

Molecular Properties

Compound Name2-acetamidobenzoyl chloride
PubChem CID12520814
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name2-acetamidobenzoyl chloride
SMILESCC(=O)Nc1ccccc1C(=O)Cl
InChIInChI=1S/C9H8ClNO2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H,11,12)
InChIKeyAGFBPSXNYPNSKX-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

CID 170843062
CID 170843062
sodium 2-acetamidobenzoate
CID 23702638
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 139085269
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
N-[2-(methylamino)phenyl]acetamide
CID 22950987
2-(2-carbonochloridoylanilino)ethyl acetate
CID 87983968
(2-acetamidophenyl) hypochlorite
CID 150463309
2-[(2Z)-2-(1,2-dichloro-2-oxoethylidene)hydrazinyl]benzoyl chloride
CID 134876150
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
2,3,3-trimethylbutan-2-yl 2-acetamidobenzoate
CID 122596329

Frequently Asked Questions

What is the IUPAC name of 2-acetamidobenzoyl chloride?
The IUPAC name of 2-acetamidobenzoyl chloride (CID 12520814) is 2-acetamidobenzoyl chloride.
What is the SMILES notation for 2-acetamidobenzoyl chloride?
The canonical SMILES for 2-acetamidobenzoyl chloride is CC(=O)Nc1ccccc1C(=O)Cl.
What is the InChIKey of 2-acetamidobenzoyl chloride?
The InChIKey is AGFBPSXNYPNSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-6(12)11-8-5-3-2-4-7(8)9(10)13/h2-5H,1H3,(H,11,12).
What are the key properties of 2-acetamidobenzoyl chloride?
2-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 2-acetamidobenzoyl chloride is sourced from PubChem (CID 12520814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).