2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide

C15H12Br2ClNO — CID 107987920

IUPAC2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2ClNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(18)8-14(13)17/h2-9H,1H3,(H,19,20)
InChIKeyNWHOVBMJLPIDDY-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.36
Rot. Bonds3

About 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide

2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide (PubChem CID 107987920) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
PubChem CID107987920
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC Name2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2ClNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(18)8-14(13)17/h2-9H,1H3,(H,19,20)
InChIKeyNWHOVBMJLPIDDY-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide (CID 107987920) is 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1Br)c1cccc(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide?
The InChIKey is NWHOVBMJLPIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(18)8-14(13)17/h2-9H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide?
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide has a molecular weight of 417.53 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 107987920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).