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

C15H13Br2NO — CID 55027225

IUPAC4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO/c1-10(13-4-2-3-5-14(13)17)18-15(19)11-6-8-12(16)9-7-11/h2-10H,1H3,(H,18,19)
InChIKeySRVXOQTVOBZHEK-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.70
Rot. Bonds3

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

4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide (PubChem CID 55027225) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
PubChem CID55027225
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccccc1Br
InChIInChI=1S/C15H13Br2NO/c1-10(13-4-2-3-5-14(13)17)18-15(19)11-6-8-12(16)9-7-11/h2-10H,1H3,(H,18,19)
InChIKeySRVXOQTVOBZHEK-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
N-[1-(2-bromophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 51149312
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78776174
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
N-[(1S)-1-(2-bromophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9220088

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide (CID 55027225) is 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1)c1ccccc1Br.
What is the InChIKey of 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
The InChIKey is SRVXOQTVOBZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-10(13-4-2-3-5-14(13)17)18-15(19)11-6-8-12(16)9-7-11/h2-10H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide?
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide has a molecular weight of 383.08 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 55027225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).