N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide

C14H18F2N2O — CID 91660203

IUPACN-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1cc(F)cc(F)c1)C1CCCN1
InChIInChI=1S/C14H18F2N2O/c15-11-7-10(8-12(16)9-11)3-1-6-18-14(19)13-4-2-5-17-13/h7-9,13,17H,1-6H2,(H,18,19)
InChIKeyGZOSHXDJQBNCKA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.77
Rot. Bonds5

About N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide

N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide (PubChem CID 91660203) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
PubChem CID91660203
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1cc(F)cc(F)c1)C1CCCN1
InChIInChI=1S/C14H18F2N2O/c15-11-7-10(8-12(16)9-11)3-1-6-18-14(19)13-4-2-5-17-13/h7-9,13,17H,1-6H2,(H,18,19)
InChIKeyGZOSHXDJQBNCKA-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299555
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide (CID 91660203) is N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide is O=C(NCCCc1cc(F)cc(F)c1)C1CCCN1.
What is the InChIKey of N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is GZOSHXDJQBNCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-7-10(8-12(16)9-11)3-1-6-18-14(19)13-4-2-5-17-13/h7-9,13,17H,1-6H2,(H,18,19).
What are the key properties of N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide?
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91660203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).