4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride

C20H25Cl2N3O2 — CID 119283382

IUPAC4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1Cl.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-3-24(4-2)20(26)16-11-10-15(13-17(16)21)23-19(25)18(22)12-14-8-6-5-7-9-14;/h5-11,13,18H,3-4,12,22H2,1-2H3,(H,23,25);1H/t18-;/m0./s1
InChIKeyOIIHYIZNHLMKET-FERBBOLQSA-N
MW410.35 g/mol
LogP3.75
Rot. Bonds7

About 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride (PubChem CID 119283382) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
PubChem CID119283382
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1Cl.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-3-24(4-2)20(26)16-11-10-15(13-17(16)21)23-19(25)18(22)12-14-8-6-5-7-9-14;/h5-11,13,18H,3-4,12,22H2,1-2H3,(H,23,25);1H/t18-;/m0./s1
InChIKeyOIIHYIZNHLMKET-FERBBOLQSA-N
XLogP3.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride 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

4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 120560598
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride (CID 119283382) is 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1Cl.Cl.
What is the InChIKey of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride?
The InChIKey is OIIHYIZNHLMKET-FERBBOLQSA-N. The full InChI is InChI=1S/C20H24ClN3O2.ClH/c1-3-24(4-2)20(26)16-11-10-15(13-17(16)21)23-19(25)18(22)12-14-8-6-5-7-9-14;/h5-11,13,18H,3-4,12,22H2,1-2H3,(H,23,25);1H/t18-;/m0./s1.
What are the key properties of 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride?
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119283382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).