N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide

C24H24ClN3O2 — CID 11258716

IUPACN-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H24ClN3O2/c1-28(2)19-14-12-18(13-15-19)23(29)27-22(16-17-8-4-3-5-9-17)24(30)26-21-11-7-6-10-20(21)25/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)/t22-/m0/s1
InChIKeyBLVKWTTVQWKNFW-QFIPXVFZSA-N
MW421.93 g/mol
LogP4.39
Rot. Bonds7

About N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide

N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide (PubChem CID 11258716) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide
PubChem CID11258716
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C24H24ClN3O2/c1-28(2)19-14-12-18(13-15-19)23(29)27-22(16-17-8-4-3-5-9-17)24(30)26-21-11-7-6-10-20(21)25/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)/t22-/m0/s1
InChIKeyBLVKWTTVQWKNFW-QFIPXVFZSA-N
XLogP4.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide (CID 11258716) is N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide?
The InChIKey is BLVKWTTVQWKNFW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-28(2)19-14-12-18(13-15-19)23(29)27-22(16-17-8-4-3-5-9-17)24(30)26-21-11-7-6-10-20(21)25/h3-15,22H,16H2,1-2H3,(H,26,30)(H,27,29)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide?
N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 421.93 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 11258716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).