3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide

C20H24ClN3O2 — CID 120761345

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-8-7-15(21)11-18(19)23-20(25)9-10-24-12-16(17(22)13-24)14-5-3-2-4-6-14/h2-8,11,16-17H,9-10,12-13,22H2,1H3,(H,23,25)/t16-,17+/m0/s1
InChIKeyIKOQCFNTMQKXNW-DLBZAZTESA-N
MW373.88 g/mol
LogP3.10
Rot. Bonds6

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 120761345) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID120761345
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-8-7-15(21)11-18(19)23-20(25)9-10-24-12-16(17(22)13-24)14-5-3-2-4-6-14/h2-8,11,16-17H,9-10,12-13,22H2,1H3,(H,23,25)/t16-,17+/m0/s1
InChIKeyIKOQCFNTMQKXNW-DLBZAZTESA-N
XLogP3.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide 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-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 120760515
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 120760615
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide;hydrochloride
CID 120758538
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 120760551
3-(3-amino-4-phenylpyrrolidin-1-yl)-N-methylpropanamide
CID 114263409
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-fluorophenyl)propanamide
CID 120759607
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120762166
N-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 75834881
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120760332
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromophenyl)propanamide
CID 120760427
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7900754

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide (CID 120761345) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is IKOQCFNTMQKXNW-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-19-8-7-15(21)11-18(19)23-20(25)9-10-24-12-16(17(22)13-24)14-5-3-2-4-6-14/h2-8,11,16-17H,9-10,12-13,22H2,1H3,(H,23,25)/t16-,17+/m0/s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 120761345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).