(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

C18H18ClFN2O — CID 51856550

IUPAC(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18ClFN2O/c1-12-4-2-5-13(10-12)17-6-3-9-22(17)18(23)21-14-7-8-16(20)15(19)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeySAMUBNRZKQJMDD-QGZVFWFLSA-N
MW332.81 g/mol
LogP5.16
Rot. Bonds2

About (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide

(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 51856550) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID51856550
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18ClFN2O/c1-12-4-2-5-13(10-12)17-6-3-9-22(17)18(23)21-14-7-8-16(20)15(19)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeySAMUBNRZKQJMDD-QGZVFWFLSA-N
XLogP5.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(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-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
CID 78892795
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 51856550) is (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SAMUBNRZKQJMDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-12-4-2-5-13(10-12)17-6-3-9-22(17)18(23)21-14-7-8-16(20)15(19)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide?
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).