(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide

C18H18F2N2O — CID 94080873

IUPAC(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O/c1-12-4-6-13(7-5-12)17-3-2-10-22(17)18(23)21-16-9-8-14(19)11-15(16)20/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyWAJOPMDPJYSOOE-KRWDZBQOSA-N
MW316.35 g/mol
LogP4.64
Rot. Bonds2

About (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide

(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 94080873) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID94080873
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O/c1-12-4-6-13(7-5-12)17-3-2-10-22(17)18(23)21-16-9-8-14(19)11-15(16)20/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyWAJOPMDPJYSOOE-KRWDZBQOSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946822
(2S)-N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070350
tert-butyl (2S)-1-[(2,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 75382009
N-(2,4-difluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53009680
(2R)-N-(2,4-difluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070447

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 94080873) is (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WAJOPMDPJYSOOE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-12-4-6-13(7-5-12)17-3-2-10-22(17)18(23)21-16-9-8-14(19)11-15(16)20/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide?
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94080873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).