(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine

C27H28ClN3O — CID 70275764

IUPAC(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine
SMILESNCCc1cccc(Cl)c1.N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O.C8H10ClN/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17;9-8-3-1-2-7(6-8)4-5-10/h1-11,13,18H,12,20H2,(H,21,22);1-3,6H,4-5,10H2/t18-;/m0./s1
InChIKeyIPLGVAXGVMAFNE-FERBBOLQSA-N
MW445.99 g/mol
LogP5.19
Rot. Bonds6

About (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine

(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine (PubChem CID 70275764) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine
PubChem CID70275764
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC Name(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine
SMILESNCCc1cccc(Cl)c1.N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O.C8H10ClN/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17;9-8-3-1-2-7(6-8)4-5-10/h1-11,13,18H,12,20H2,(H,21,22);1-3,6H,4-5,10H2/t18-;/m0./s1
InChIKeyIPLGVAXGVMAFNE-FERBBOLQSA-N
XLogP5.19
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine 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-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-(3-chlorophenyl)ethyl N-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 6735881
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
2-amino-N-(2-oxochromen-6-yl)-3-phenylpropanamide;hydrochloride
CID 139945933
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
(2S)-2-amino-N-(1H-indol-5-yl)-3-phenylpropanamide
CID 61250453
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine?
The IUPAC name of (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine (CID 70275764) is (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine?
The canonical SMILES for (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine is NCCc1cccc(Cl)c1.N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine?
The InChIKey is IPLGVAXGVMAFNE-FERBBOLQSA-N. The full InChI is InChI=1S/C19H18N2O.C8H10ClN/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17;9-8-3-1-2-7(6-8)4-5-10/h1-11,13,18H,12,20H2,(H,21,22);1-3,6H,4-5,10H2/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine?
(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine has a molecular weight of 445.99 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 70275764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).