2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide

C15H12BrCl2NO — CID 2547735

IUPAC2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C15H12BrCl2NO/c16-13-4-2-1-3-12(13)15(20)19-8-7-10-5-6-11(17)9-14(10)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyNJTCZGSKSCOIRK-UHFFFAOYSA-N
MW373.08 g/mol
LogP4.73
Rot. Bonds4

About 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide

2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 2547735) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID2547735
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C15H12BrCl2NO/c16-13-4-2-1-3-12(13)15(20)19-8-7-10-5-6-11(17)9-14(10)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyNJTCZGSKSCOIRK-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.08
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
4-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-sulfanylbenzamide
CID 107021702
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 29286863
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
N-[2-(2,4-dichlorophenyl)ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235630
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide (CID 2547735) is 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide is O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is NJTCZGSKSCOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-13-4-2-1-3-12(13)15(20)19-8-7-10-5-6-11(17)9-14(10)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 373.08 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 2547735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).