(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

C19H21ClN2O3 — CID 51856535

IUPAC(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C19H21ClN2O3/c1-24-16-10-15(11-17(12-16)25-2)21-19(23)22-9-3-4-18(22)13-5-7-14(20)8-6-13/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyYXHMMXYQGKZYPZ-GOSISDBHSA-N
MW360.84 g/mol
LogP4.73
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 51856535) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID51856535
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C19H21ClN2O3/c1-24-16-10-15(11-17(12-16)25-2)21-19(23)22-9-3-4-18(22)13-5-7-14(20)8-6-13/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyYXHMMXYQGKZYPZ-GOSISDBHSA-N
XLogP4.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
CID 136555141

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 51856535) is (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is YXHMMXYQGKZYPZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-16-10-15(11-17(12-16)25-2)21-19(23)22-9-3-4-18(22)13-5-7-14(20)8-6-13/h5-8,10-12,18H,3-4,9H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).