3-chlorobenzoyl chloride;N,3-dimethylbenzamide

C16H15Cl2NO2 — CID 159987472

IUPAC3-chlorobenzoyl chloride;N,3-dimethylbenzamide
SMILESCNC(=O)c1cccc(C)c1.O=C(Cl)c1cccc(Cl)c1
InChIInChI=1S/C9H11NO.C7H4Cl2O/c1-7-4-3-5-8(6-7)9(11)10-2;8-6-3-1-2-5(4-6)7(9)10/h3-6H,1-2H3,(H,10,11);1-4H
InChIKeyOGNDJXCCLRLHCY-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.07
Rot. Bonds2

About 3-chlorobenzoyl chloride;N,3-dimethylbenzamide

3-chlorobenzoyl chloride;N,3-dimethylbenzamide (PubChem CID 159987472) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-chlorobenzoyl chloride;N,3-dimethylbenzamide.

Molecular Properties

Compound Name3-chlorobenzoyl chloride;N,3-dimethylbenzamide
PubChem CID159987472
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-chlorobenzoyl chloride;N,3-dimethylbenzamide
SMILESCNC(=O)c1cccc(C)c1.O=C(Cl)c1cccc(Cl)c1
InChIInChI=1S/C9H11NO.C7H4Cl2O/c1-7-4-3-5-8(6-7)9(11)10-2;8-6-3-1-2-5(4-6)7(9)10/h3-6H,1-2H3,(H,10,11);1-4H
InChIKeyOGNDJXCCLRLHCY-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chlorobenzoyl chloride;N,3-dimethylbenzamide 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

3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
3-chloro-N-(methylcarbamoylcarbamothioyl)benzamide
CID 2768727
3-chloro-N-(4-methylpyridin-1-ium-1-yl)benzamide chloride
CID 22749044
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzoyl chloride;N,3-dimethylbenzamide?
The IUPAC name of 3-chlorobenzoyl chloride;N,3-dimethylbenzamide (CID 159987472) is 3-chlorobenzoyl chloride;N,3-dimethylbenzamide.
What is the SMILES notation for 3-chlorobenzoyl chloride;N,3-dimethylbenzamide?
The canonical SMILES for 3-chlorobenzoyl chloride;N,3-dimethylbenzamide is CNC(=O)c1cccc(C)c1.O=C(Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzoyl chloride;N,3-dimethylbenzamide?
The InChIKey is OGNDJXCCLRLHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C7H4Cl2O/c1-7-4-3-5-8(6-7)9(11)10-2;8-6-3-1-2-5(4-6)7(9)10/h3-6H,1-2H3,(H,10,11);1-4H.
What are the key properties of 3-chlorobenzoyl chloride;N,3-dimethylbenzamide?
3-chlorobenzoyl chloride;N,3-dimethylbenzamide has a molecular weight of 324.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzoyl chloride;N,3-dimethylbenzamide is sourced from PubChem (CID 159987472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).