5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide

C16H15Br2NO — CID 107868933

IUPAC5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO/c1-10-3-6-14(18)9-15(10)16(20)19-11(2)12-4-7-13(17)8-5-12/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyGZWMGAYWXHLQNB-NSHDSACASA-N
MW397.11 g/mol
LogP5.01
Rot. Bonds3

About 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide

5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide (PubChem CID 107868933) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
PubChem CID107868933
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO/c1-10-3-6-14(18)9-15(10)16(20)19-11(2)12-4-7-13(17)8-5-12/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyGZWMGAYWXHLQNB-NSHDSACASA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
CID 165116022
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbenzamide
CID 65306853
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide (CID 107868933) is 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide?
The InChIKey is GZWMGAYWXHLQNB-NSHDSACASA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-10-3-6-14(18)9-15(10)16(20)19-11(2)12-4-7-13(17)8-5-12/h3-9,11H,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide?
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide has a molecular weight of 397.11 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 107868933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).