3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide

C24H23BrN2O2 — CID 112816640

IUPAC3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C24H23BrN2O2/c1-17(28)26-22(18-12-14-21(25)15-13-18)16-23(29)27-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22,24H,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyCQMHVPDAUFHAFV-UHFFFAOYSA-N
MW451.36 g/mol
LogP4.92
Rot. Bonds7

About 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide

3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide (PubChem CID 112816640) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
PubChem CID112816640
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
SMILESCC(=O)NC(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C24H23BrN2O2/c1-17(28)26-22(18-12-14-21(25)15-13-18)16-23(29)27-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22,24H,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyCQMHVPDAUFHAFV-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
CID 112773016
3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 55717227
3-acetamido-3-(4-bromophenyl)-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]propanamide
CID 112830065
(2R)-2-[[3-acetamido-3-(4-bromophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119363861
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-[[3-acetamido-3-(4-bromophenyl)propanoyl]-methylamino]propanoic acid
CID 119362579
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide?
The IUPAC name of 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide (CID 112816640) is 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide is CC(=O)NC(CC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide?
The InChIKey is CQMHVPDAUFHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-17(28)26-22(18-12-14-21(25)15-13-18)16-23(29)27-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22,24H,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide?
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide has a molecular weight of 451.36 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide is sourced from PubChem (CID 112816640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).