3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide

C24H23BrN2O2 — CID 2946068

IUPAC3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C24H23BrN2O2/c1-17(10-11-18-6-3-2-4-7-18)26-23(28)19-12-14-22(15-13-19)27-24(29)20-8-5-9-21(25)16-20/h2-9,12-17H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyQMRYHVCFLOCYFD-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.45
Rot. Bonds7

About 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide

3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 2946068) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID2946068
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C24H23BrN2O2/c1-17(10-11-18-6-3-2-4-7-18)26-23(28)19-12-14-22(15-13-19)27-24(29)20-8-5-9-21(25)16-20/h2-9,12-17H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyQMRYHVCFLOCYFD-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide (CID 2946068) is 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is QMRYHVCFLOCYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-17(10-11-18-6-3-2-4-7-18)26-23(28)19-12-14-22(15-13-19)27-24(29)20-8-5-9-21(25)16-20/h2-9,12-17H,10-11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide?
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 451.36 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).