(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide

C12H15FN2O — CID 62812681

IUPAC(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-7-9(4-5-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyFADXXBMOTUKHSA-NSHDSACASA-N
MW222.26 g/mol
LogP1.82
Rot. Bonds2

About (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 62812681) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID62812681
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCN2)ccc1F
InChIInChI=1S/C12H15FN2O/c1-8-7-9(4-5-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyFADXXBMOTUKHSA-NSHDSACASA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide (CID 62812681) is (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2)ccc1F.
What is the InChIKey of (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is FADXXBMOTUKHSA-NSHDSACASA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-7-9(4-5-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62812681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).