3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

C15H12BrCl2NO — CID 60629526

IUPAC3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO/c1-9(10-5-6-13(17)14(18)8-10)19-15(20)11-3-2-4-12(16)7-11/h2-9H,1H3,(H,19,20)
InChIKeyFJROSLGQCUKADA-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.25
Rot. Bonds3

About 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (PubChem CID 60629526) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
PubChem CID60629526
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO/c1-9(10-5-6-13(17)14(18)8-10)19-15(20)11-3-2-4-12(16)7-11/h2-9H,1H3,(H,19,20)
InChIKeyFJROSLGQCUKADA-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (CID 60629526) is 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is FJROSLGQCUKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c1-9(10-5-6-13(17)14(18)8-10)19-15(20)11-3-2-4-12(16)7-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 373.08 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 60629526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).