4-chloro-N-(2-chloropropyl)-N-methylbenzamide

C11H13Cl2NO — CID 63393567

IUPAC4-chloro-N-(2-chloropropyl)-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13Cl2NO/c1-8(12)7-14(2)11(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyDIEUKJZKROVZHA-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-N-(2-chloropropyl)-N-methylbenzamide

4-chloro-N-(2-chloropropyl)-N-methylbenzamide (PubChem CID 63393567) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-chloro-N-(2-chloropropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloropropyl)-N-methylbenzamide
PubChem CID63393567
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-chloro-N-(2-chloropropyl)-N-methylbenzamide
SMILESCC(Cl)CN(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13Cl2NO/c1-8(12)7-14(2)11(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyDIEUKJZKROVZHA-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
3-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393941
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
N-(2-chloropropyl)-3-cyano-N-methylbenzamide
CID 63393862
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
4-chloro-3-fluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 103876616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloropropyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-chloropropyl)-N-methylbenzamide (CID 63393567) is 4-chloro-N-(2-chloropropyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloropropyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-chloropropyl)-N-methylbenzamide is CC(Cl)CN(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-chloropropyl)-N-methylbenzamide?
The InChIKey is DIEUKJZKROVZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-8(12)7-14(2)11(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-chloro-N-(2-chloropropyl)-N-methylbenzamide?
4-chloro-N-(2-chloropropyl)-N-methylbenzamide has a molecular weight of 246.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloropropyl)-N-methylbenzamide is sourced from PubChem (CID 63393567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).