2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride

C19H23Cl2N3O — CID 120762166

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H22ClN3O.ClH/c1-13-9-15(20)7-8-18(13)22-19(24)12-23-10-16(17(21)11-23)14-5-3-2-4-6-14;/h2-9,16-17H,10-12,21H2,1H3,(H,22,24);1H/t16-,17+;/m0./s1
InChIKeyXZYMYHRITKEPFA-MCJVGQIASA-N
MW380.32 g/mol
LogP3.44
Rot. Bonds4

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride (PubChem CID 120762166) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
PubChem CID120762166
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
SMILESCc1cc(Cl)ccc1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C19H22ClN3O.ClH/c1-13-9-15(20)7-8-18(13)22-19(24)12-23-10-16(17(21)11-23)14-5-3-2-4-6-14;/h2-9,16-17H,10-12,21H2,1H3,(H,22,24);1H/t16-,17+;/m0./s1
InChIKeyXZYMYHRITKEPFA-MCJVGQIASA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 120761700
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 120761426
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-methyl-5-sulfamoylphenyl)acetamide;hydrochloride
CID 120761946
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120761039
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-bromophenyl)acetamide;hydrochloride
CID 120760737
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 79992672
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide;hydrochloride
CID 120760232
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 120760615

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride (CID 120762166) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride is Cc1cc(Cl)ccc1NC(=O)CN1C[C@@H](N)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
The InChIKey is XZYMYHRITKEPFA-MCJVGQIASA-N. The full InChI is InChI=1S/C19H22ClN3O.ClH/c1-13-9-15(20)7-8-18(13)22-19(24)12-23-10-16(17(21)11-23)14-5-3-2-4-6-14;/h2-9,16-17H,10-12,21H2,1H3,(H,22,24);1H/t16-,17+;/m0./s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride has a molecular weight of 380.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120762166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).