(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

C19H21ClN2O — CID 95272026

IUPAC(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c1-14(19(23)21-18-10-6-5-9-17(18)20)22-12-11-16(13-22)15-7-3-2-4-8-15/h2-10,14,16H,11-13H2,1H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyWHBXSBHMXCHYER-HOCLYGCPSA-N
MW328.84 g/mol
LogP4.16
Rot. Bonds4

About (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 95272026) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID95272026
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C19H21ClN2O/c1-14(19(23)21-18-10-6-5-9-17(18)20)22-12-11-16(13-22)15-7-3-2-4-8-15/h2-10,14,16H,11-13H2,1H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyWHBXSBHMXCHYER-HOCLYGCPSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
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(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
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N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
N-(2-chlorophenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 5066117
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chlorophenyl)propanamide
CID 46402796
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 100857802
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (CID 95272026) is (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is WHBXSBHMXCHYER-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14(19(23)21-18-10-6-5-9-17(18)20)22-12-11-16(13-22)15-7-3-2-4-8-15/h2-10,14,16H,11-13H2,1H3,(H,21,23)/t14-,16-/m0/s1.
What are the key properties of (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 328.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95272026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).