N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide

C12H15FN2O2 — CID 55151531

IUPACN-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNC2)cc1F
InChIInChI=1S/C12H15FN2O2/c1-17-11-3-2-9(6-10(11)13)15-12(16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyLPXBUXSHIYVPJM-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.38
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide

N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55151531) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55151531
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCNC2)cc1F
InChIInChI=1S/C12H15FN2O2/c1-17-11-3-2-9(6-10(11)13)15-12(16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyLPXBUXSHIYVPJM-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119304870
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119713245
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
(3R)-N-(3-ethoxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 81124200
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 55151531) is N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CCNC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LPXBUXSHIYVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-11-3-2-9(6-10(11)13)15-12(16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide?
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55151531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).