4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide

C11H9BrCl2F3NO — CID 107492122

IUPAC4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(Br)c(Cl)c1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H9BrCl2F3NO/c12-8-2-1-7(5-9(8)14)10(19)18(4-3-13)6-11(15,16)17/h1-2,5H,3-4,6H2
InChIKeyQIFAEBINSYKRMA-UHFFFAOYSA-N
MW379.00 g/mol
LogP4.35
Rot. Bonds4

About 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492122) has the molecular formula C11H9BrCl2F3NO and a molecular weight of 379.00 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492122
Molecular FormulaC11H9BrCl2F3NO
Molecular Weight379.00 g/mol
Exact Mass376.92
IUPAC Name4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(Br)c(Cl)c1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H9BrCl2F3NO/c12-8-2-1-7(5-9(8)14)10(19)18(4-3-13)6-11(15,16)17/h1-2,5H,3-4,6H2
InChIKeyQIFAEBINSYKRMA-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.00
LogP ≤ 54.35
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-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
N-(2-chloroethyl)-3-fluoro-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492036
N-(2-bromoethyl)-4-chloro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492674
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 107492122) is 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccc(Br)c(Cl)c1)N(CCCl)CC(F)(F)F.
What is the InChIKey of 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QIFAEBINSYKRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2F3NO/c12-8-2-1-7(5-9(8)14)10(19)18(4-3-13)6-11(15,16)17/h1-2,5H,3-4,6H2.
What are the key properties of 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 379.00 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).