2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide

C19H21BrN2O2 — CID 113165914

IUPAC2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-15(23)22(12-6-9-16-7-3-2-4-8-16)14-19(24)21-18-11-5-10-17(20)13-18/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,21,24)
InChIKeyURLUSUFLBYQVKN-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.87
Rot. Bonds7

About 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide

2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide (PubChem CID 113165914) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
PubChem CID113165914
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide
SMILESCC(=O)N(CCCc1ccccc1)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H21BrN2O2/c1-15(23)22(12-6-9-16-7-3-2-4-8-16)14-19(24)21-18-11-5-10-17(20)13-18/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,21,24)
InChIKeyURLUSUFLBYQVKN-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide 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

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
N-(4-acetylphenyl)-2-[acetyl(3-phenylpropyl)amino]acetamide
CID 113165901
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-(3-acetylphenyl)-2-[acetyl(propyl)amino]acetamide
CID 113158044
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide (CID 113165914) is 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide is CC(=O)N(CCCc1ccccc1)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide?
The InChIKey is URLUSUFLBYQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-15(23)22(12-6-9-16-7-3-2-4-8-16)14-19(24)21-18-11-5-10-17(20)13-18/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,21,24).
What are the key properties of 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide?
2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-phenylpropyl)amino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 113165914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).