4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide

C11H12Br2ClNO — CID 81308136

IUPAC4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
SMILESCCN(CCBr)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12Br2ClNO/c1-2-15(6-5-12)11(16)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyNUVIGBCILCXZSJ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.96
Rot. Bonds4

About 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide

4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide (PubChem CID 81308136) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
PubChem CID81308136
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
SMILESCCN(CCBr)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12Br2ClNO/c1-2-15(6-5-12)11(16)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChIKeyNUVIGBCILCXZSJ-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.96
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

N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 80661039
3-bromo-N-(2-bromoethyl)-N-ethylbenzamide
CID 80659958
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
4-bromo-3-chloro-N-(cyanomethyl)-N-propylbenzamide
CID 80973820
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107492122
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide?
The IUPAC name of 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide (CID 81308136) is 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide?
The canonical SMILES for 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide is CCN(CCBr)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide?
The InChIKey is NUVIGBCILCXZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-2-15(6-5-12)11(16)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide?
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide has a molecular weight of 369.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide is sourced from PubChem (CID 81308136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).