(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

C16H17FN2O2 — CID 51551012

IUPAC(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-11-6-7-12(10-13(11)17)18-16(20)19-8-2-4-14(19)15-5-3-9-21-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyZNODJXKCVXBSQX-CQSZACIVSA-N
MW288.32 g/mol
LogP4.10
Rot. Bonds2

About (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 51551012) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID51551012
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-11-6-7-12(10-13(11)17)18-16(20)19-8-2-4-14(19)15-5-3-9-21-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyZNODJXKCVXBSQX-CQSZACIVSA-N
XLogP4.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2S)-N-(3-fluoro-4-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503204
(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99354971
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
(2S)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99564424
N-(3-fluoro-4-methylphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53096403

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (CID 51551012) is (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1F.
What is the InChIKey of (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZNODJXKCVXBSQX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-6-7-12(10-13(11)17)18-16(20)19-8-2-4-14(19)15-5-3-9-21-15/h3,5-7,9-10,14H,2,4,8H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51551012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).