2-[(4-chlorobenzoyl)amino]acetyl chloride

C9H7Cl2NO2 — CID 14545092

IUPAC2-[(4-chlorobenzoyl)amino]acetyl chloride
SMILESO=C(Cl)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2NO2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H,12,14)
InChIKeyWLARRLOVWFJMLS-UHFFFAOYSA-N
MW232.07 g/mol
LogP1.84
Rot. Bonds3

About 2-[(4-chlorobenzoyl)amino]acetyl chloride

2-[(4-chlorobenzoyl)amino]acetyl chloride (PubChem CID 14545092) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]acetyl chloride
PubChem CID14545092
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name2-[(4-chlorobenzoyl)amino]acetyl chloride
SMILESO=C(Cl)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2NO2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H,12,14)
InChIKeyWLARRLOVWFJMLS-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 51.84
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

aluminum tris(2-[(4-chlorobenzoyl)amino]acetate)
CID 70603247
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
2-[[4-(4-chlorophenoxy)benzoyl]amino]acetic acid
CID 66812377
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]acetyl chloride?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]acetyl chloride (CID 14545092) is 2-[(4-chlorobenzoyl)amino]acetyl chloride.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]acetyl chloride?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]acetyl chloride is O=C(Cl)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]acetyl chloride?
The InChIKey is WLARRLOVWFJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(2-4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H,12,14).
What are the key properties of 2-[(4-chlorobenzoyl)amino]acetyl chloride?
2-[(4-chlorobenzoyl)amino]acetyl chloride has a molecular weight of 232.07 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]acetyl chloride is sourced from PubChem (CID 14545092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).