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

C18H18ClFN2O — CID 51856379

IUPAC(2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c1-12-7-8-16(15(19)10-12)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyVDOHAYXPZDOAOZ-QGZVFWFLSA-N
MW332.81 g/mol
LogP5.16
Rot. Bonds2

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

(2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 51856379) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID51856379
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c1-12-7-8-16(15(19)10-12)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyVDOHAYXPZDOAOZ-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

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[(4-chlorophenyl)amino]-N-[2-(4-fluorophenyl)ethyl]carboxamide
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1-(4-Tert-butylphenyl)-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
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CID 25233754

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 51856379) is (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c(Cl)c1.
What is the InChIKey of (2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is VDOHAYXPZDOAOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-12-7-8-16(15(19)10-12)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/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-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
(2R)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)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-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).