3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one

C25H23ClN2O2 — CID 69237295

IUPAC3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one
SMILESCC(=O)c1cccc(-c2ccc(CC(N)C(=O)N3Cc4ccccc4C3)c(Cl)c2)c1
InChIInChI=1S/C25H23ClN2O2/c1-16(29)17-7-4-8-18(11-17)19-9-10-20(23(26)12-19)13-24(27)25(30)28-14-21-5-2-3-6-22(21)15-28/h2-12,24H,13-15,27H2,1H3
InChIKeyXDNXFIPXVIJHCA-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.62
Rot. Bonds5

About 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one

3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one (PubChem CID 69237295) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one
PubChem CID69237295
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one
SMILESCC(=O)c1cccc(-c2ccc(CC(N)C(=O)N3Cc4ccccc4C3)c(Cl)c2)c1
InChIInChI=1S/C25H23ClN2O2/c1-16(29)17-7-4-8-18(11-17)19-9-10-20(23(26)12-19)13-24(27)25(30)28-14-21-5-2-3-6-22(21)15-28/h2-12,24H,13-15,27H2,1H3
InChIKeyXDNXFIPXVIJHCA-UHFFFAOYSA-N
XLogP4.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one 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-amino-3-[2-chloro-4-(4-chlorophenyl)phenyl]-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 69182106
3-[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-N,N-dimethylbenzamide
CID 69193873
(2R)-2-amino-3-(2,4-dichlorophenyl)-1-[5-(1H-pyrazol-4-yl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 172852940
(2R)-2-amino-3-(2,4-dichlorophenyl)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one;(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 159050555
N-[[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]methyl]acetamide
CID 69193561
(2S)-2-acetamido-N-[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-3-(1H-indol-3-yl)propanamide
CID 69193471
2-acetamido-N-[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-3-(1H-indol-3-yl)propanamide
CID 150044385
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 62230153
N-[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-4-(dimethylamino)benzamide
CID 69193170
N-[[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]methyl]-2-methylbutanamide
CID 69193312
1-[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-3-(3,5-dimethoxyphenyl)urea
CID 69237879
1-[2-[2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-3-[4-(dimethylamino)phenyl]urea
CID 69193547

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The IUPAC name of 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one (CID 69237295) is 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one.
What is the SMILES notation for 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The canonical SMILES for 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one is CC(=O)c1cccc(-c2ccc(CC(N)C(=O)N3Cc4ccccc4C3)c(Cl)c2)c1.
What is the InChIKey of 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
The InChIKey is XDNXFIPXVIJHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-16(29)17-7-4-8-18(11-17)19-9-10-20(23(26)12-19)13-24(27)25(30)28-14-21-5-2-3-6-22(21)15-28/h2-12,24H,13-15,27H2,1H3.
What are the key properties of 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one?
3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one has a molecular weight of 418.92 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-acetylphenyl)-2-chlorophenyl]-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one is sourced from PubChem (CID 69237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).