N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

C15H21FN2O — CID 43703517

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-10(2)14(11-5-7-12(16)8-6-11)18-15(19)13-4-3-9-17-13/h5-8,10,13-14,17H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyJOBNFGVGRGNEQD-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.39
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (PubChem CID 43703517) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
PubChem CID43703517
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-10(2)14(11-5-7-12(16)8-6-11)18-15(19)13-4-3-9-17-13/h5-8,10,13-14,17H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyJOBNFGVGRGNEQD-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[1-(4-ethylphenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 61273456
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
(2S)-N-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 99852704

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide (CID 43703517) is N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is CC(C)C(NC(=O)C1CCCN1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
The InChIKey is JOBNFGVGRGNEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(2)14(11-5-7-12(16)8-6-11)18-15(19)13-4-3-9-17-13/h5-8,10,13-14,17H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43703517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).