N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide

C12H14F2N2O — CID 60737551

IUPACN-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CCCN1
InChIInChI=1S/C12H14F2N2O/c13-9-4-3-8(10(14)6-9)7-16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7H2,(H,16,17)
InChIKeySFFPJGPKDREUTJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.33
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide

N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 60737551) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID60737551
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CCCN1
InChIInChI=1S/C12H14F2N2O/c13-9-4-3-8(10(14)6-9)7-16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7H2,(H,16,17)
InChIKeySFFPJGPKDREUTJ-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(2,4-difluorophenyl)methyl]-4-methylpiperazine-2-carboxamide
CID 115178001
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119892449
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 110012377
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 103795055
(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081687
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
(2S)-N-[[4-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-3,5-difluorophenyl]methyl]pyrrolidine-2-carboxamide
CID 68676265
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 60737551) is N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(F)cc1F)C1CCCN1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SFFPJGPKDREUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-9-4-3-8(10(14)6-9)7-16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5,7H2,(H,16,17).
What are the key properties of N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60737551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).