2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide

C20H24ClN3O — CID 78892795

IUPAC2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2c2cccc(Cl)c2)ccc1N(C)C
InChIInChI=1S/C20H24ClN3O/c1-14-12-17(9-10-18(14)23(2)3)22-20(25)24-11-5-8-19(24)15-6-4-7-16(21)13-15/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3,(H,22,25)
InChIKeySGTCKPFXJKPSAD-UHFFFAOYSA-N
MW357.89 g/mol
LogP5.08
Rot. Bonds3

About 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide

2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 78892795) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID78892795
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2c2cccc(Cl)c2)ccc1N(C)C
InChIInChI=1S/C20H24ClN3O/c1-14-12-17(9-10-18(14)23(2)3)22-20(25)24-11-5-8-19(24)15-6-4-7-16(21)13-15/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3,(H,22,25)
InChIKeySGTCKPFXJKPSAD-UHFFFAOYSA-N
XLogP5.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.89
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51962158
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 95131161
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide (CID 78892795) is 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC2c2cccc(Cl)c2)ccc1N(C)C.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is SGTCKPFXJKPSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-14-12-17(9-10-18(14)23(2)3)22-20(25)24-11-5-8-19(24)15-6-4-7-16(21)13-15/h4,6-7,9-10,12-13,19H,5,8,11H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide?
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 78892795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).