(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

C19H21ClN2O — CID 51694814

IUPAC(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H21ClN2O/c1-13-5-10-17(12-14(13)2)21-19(23)22-11-3-4-18(22)15-6-8-16(20)9-7-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyZDFPRYHUMIRDKG-GOSISDBHSA-N
MW328.84 g/mol
LogP5.33
Rot. Bonds2

About (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51694814) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
PubChem CID51694814
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H21ClN2O/c1-13-5-10-17(12-14(13)2)21-19(23)22-11-3-4-18(22)15-6-8-16(20)9-7-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyZDFPRYHUMIRDKG-GOSISDBHSA-N
XLogP5.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
CID 78892795
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
CID 50945546
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2R)-N-(3,4-dimethylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503091
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856304

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide (CID 51694814) is (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is ZDFPRYHUMIRDKG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-5-10-17(12-14(13)2)21-19(23)22-11-3-4-18(22)15-6-8-16(20)9-7-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide?
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51694814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).