3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide

C17H18BrNO — CID 880257

IUPAC3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyOANRMXWORHWCBM-ZDUSSCGKSA-N
MW332.24 g/mol
LogP4.20
Rot. Bonds5

About 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide

3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 880257) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID880257
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyOANRMXWORHWCBM-ZDUSSCGKSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 880257) is 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is OANRMXWORHWCBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-13(10-11-14-6-3-2-4-7-14)19-17(20)15-8-5-9-16(18)12-15/h2-9,12-13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide?
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 880257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).