3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide

C10H10BrCl2NO — CID 107993565

IUPAC3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrCl2NO/c1-14(5-4-12)10(15)7-2-3-9(13)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyWLTNRIDQCVVYHI-UHFFFAOYSA-N
MW311.01 g/mol
LogP3.41
Rot. Bonds3

About 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide

3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide (PubChem CID 107993565) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
PubChem CID107993565
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC Name3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
SMILESCN(CCCl)C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H10BrCl2NO/c1-14(5-4-12)10(15)7-2-3-9(13)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyWLTNRIDQCVVYHI-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 53.41
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

3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
6-bromo-N-(2-chloroethyl)-N-methylnaphthalene-2-carboxamide
CID 113292794
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide (CID 107993565) is 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide is CN(CCCl)C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide?
The InChIKey is WLTNRIDQCVVYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c1-14(5-4-12)10(15)7-2-3-9(13)8(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide?
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide has a molecular weight of 311.01 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide is sourced from PubChem (CID 107993565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).