4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide

C11H12BrCl2NO — CID 63395077

IUPAC4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrCl2NO/c1-2-15(6-5-13)11(16)9-4-3-8(12)7-10(9)14/h3-4,7H,2,5-6H2,1H3
InChIKeyNEUUSXMPIHNRSD-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.80
Rot. Bonds4

About 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide

4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide (PubChem CID 63395077) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
PubChem CID63395077
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H12BrCl2NO/c1-2-15(6-5-13)11(16)9-4-3-8(12)7-10(9)14/h3-4,7H,2,5-6H2,1H3
InChIKeyNEUUSXMPIHNRSD-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.80
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-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-ethylbenzamide
CID 54988663
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60967608
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
ethyl 2-[(4-bromo-2-chlorobenzoyl)-propylamino]acetate
CID 61008661
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-bromo-2-chloro-N-ethylbenzamide
CID 54992466
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide (CID 63395077) is 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide is CCN(CCCl)C(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide?
The InChIKey is NEUUSXMPIHNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-2-15(6-5-13)11(16)9-4-3-8(12)7-10(9)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide?
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide has a molecular weight of 325.03 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide is sourced from PubChem (CID 63395077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).