N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride

C9H7Cl2NO2 — CID 54256213

IUPACN-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2NO2/c1-12(9(11)14)8(13)6-2-4-7(10)5-3-6/h2-5H,1H3
InChIKeyRAGLEQCHKYDVPY-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.77
Rot. Bonds1

About N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride

N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride (PubChem CID 54256213) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
PubChem CID54256213
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC NameN-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H7Cl2NO2/c1-12(9(11)14)8(13)6-2-4-7(10)5-3-6/h2-5H,1H3
InChIKeyRAGLEQCHKYDVPY-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
N-(4-chlorobenzoyl)-N-methyl-4-sulfamoylpiperazine-1-carboxamide
CID 141002666
N-[N-(4-chlorophenyl)-C-ethylcarbonimidoyl]-N-methylcarbamoyl chloride
CID 54331988
N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
CID 19752746
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
2-(4-chlorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 82113368
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
CID 102638083
4-chloro-N-(2,2-diethoxyacetyl)benzohydrazide
CID 166732224

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride (CID 54256213) is N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride?
The InChIKey is RAGLEQCHKYDVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c1-12(9(11)14)8(13)6-2-4-7(10)5-3-6/h2-5H,1H3.
What are the key properties of N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride?
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride has a molecular weight of 232.07 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 54256213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).