3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide

C20H23BrN2O2 — CID 55717227

IUPAC3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H23BrN2O2/c1-14(12-16-8-10-18(21)11-9-16)22-20(25)13-19(23-15(2)24)17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYKJHJYDHLQPRBZ-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.76
Rot. Bonds7

About 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide

3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide (PubChem CID 55717227) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
PubChem CID55717227
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC(C)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H23BrN2O2/c1-14(12-16-8-10-18(21)11-9-16)22-20(25)13-19(23-15(2)24)17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYKJHJYDHLQPRBZ-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
CID 112773016
(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-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741
(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 94816352
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
(2R)-2-[[3-acetamido-3-(4-bromophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119363861
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide (CID 55717227) is 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NC(C)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is YKJHJYDHLQPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-14(12-16-8-10-18(21)11-9-16)22-20(25)13-19(23-15(2)24)17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide?
3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 403.32 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 55717227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).