(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide

C12H15FN2O — CID 90883663

IUPAC(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-9-3-2-8-15(9)12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyYMZYZRAQBWQSOT-SECBINFHSA-N
MW222.26 g/mol
LogP2.84
Rot. Bonds1

About (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide

(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 90883663) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID90883663
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c1-9-3-2-8-15(9)12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyYMZYZRAQBWQSOT-SECBINFHSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
CID 86805735
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide (CID 90883663) is (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide is C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is YMZYZRAQBWQSOT-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-3-2-8-15(9)12(16)14-11-6-4-10(13)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide?
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 90883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).