N-(2-chloropropyl)-N,3-dimethylbenzamide

C12H16ClNO — CID 63393760

IUPACN-(2-chloropropyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(C)Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9-5-4-6-11(7-9)12(15)14(3)8-10(2)13/h4-7,10H,8H2,1-3H3
InChIKeyJDJQYSVBXNBQAF-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.69
Rot. Bonds3

About N-(2-chloropropyl)-N,3-dimethylbenzamide

N-(2-chloropropyl)-N,3-dimethylbenzamide (PubChem CID 63393760) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,3-dimethylbenzamide
PubChem CID63393760
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(2-chloropropyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(C)Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9-5-4-6-11(7-9)12(15)14(3)8-10(2)13/h4-7,10H,8H2,1-3H3
InChIKeyJDJQYSVBXNBQAF-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloropropyl)-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-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393941
N-(2-chloropropyl)-3-cyano-N-methylbenzamide
CID 63393862
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,3-dimethylbenzamide?
The IUPAC name of N-(2-chloropropyl)-N,3-dimethylbenzamide (CID 63393760) is N-(2-chloropropyl)-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-chloropropyl)-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-chloropropyl)-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CC(C)Cl)c1.
What is the InChIKey of N-(2-chloropropyl)-N,3-dimethylbenzamide?
The InChIKey is JDJQYSVBXNBQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-5-4-6-11(7-9)12(15)14(3)8-10(2)13/h4-7,10H,8H2,1-3H3.
What are the key properties of N-(2-chloropropyl)-N,3-dimethylbenzamide?
N-(2-chloropropyl)-N,3-dimethylbenzamide has a molecular weight of 225.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 63393760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).