(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide

C15H17ClN2O2 — CID 170257704

IUPAC(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide
SMILESC=NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-17-15(20)13-7-4-10-18(13)14(19)9-8-11-5-2-3-6-12(11)16/h2-3,5-6,13H,1,4,7-10H2/t13-/m0/s1
InChIKeyCQJPBUQKIVWHLB-ZDUSSCGKSA-N
MW292.77 g/mol
LogP2.49
Rot. Bonds4

About (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide

(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide (PubChem CID 170257704) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide
PubChem CID170257704
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide
SMILESC=NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c1-17-15(20)13-7-4-10-18(13)14(19)9-8-11-5-2-3-6-12(11)16/h2-3,5-6,13H,1,4,7-10H2/t13-/m0/s1
InChIKeyCQJPBUQKIVWHLB-ZDUSSCGKSA-N
XLogP2.49
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
4-[3-(2-chlorophenyl)propanoyl]thiomorpholine-3-carboxylic acid
CID 78980263
1-[5-(2-chlorophenyl)-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
CID 118111913
methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
CID 43423525
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
3-(2,3-dichlorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 55688097
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide (CID 170257704) is (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide is C=NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1Cl.
What is the InChIKey of (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide?
The InChIKey is CQJPBUQKIVWHLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-17-15(20)13-7-4-10-18(13)14(19)9-8-11-5-2-3-6-12(11)16/h2-3,5-6,13H,1,4,7-10H2/t13-/m0/s1.
What are the key properties of (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide?
(2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-chlorophenyl)propanoyl]-N-methylidenepyrrolidine-2-carboxamide is sourced from PubChem (CID 170257704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).