N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide

C11H12F2N2O — CID 18073046

IUPACN-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN1
InChIInChI=1S/C11H12F2N2O/c12-8-4-3-7(6-9(8)13)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2,(H,15,16)
InChIKeyPJWZHZTTWQZZRN-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.66
Rot. Bonds2

About N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide

N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 18073046) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
PubChem CID18073046
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC NameN-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN1
InChIInChI=1S/C11H12F2N2O/c12-8-4-3-7(6-9(8)13)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2,(H,15,16)
InChIKeyPJWZHZTTWQZZRN-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]piperidine-2-carboxamide
CID 119270164

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide (CID 18073046) is N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN1.
What is the InChIKey of N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is PJWZHZTTWQZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-4-3-7(6-9(8)13)15-11(16)10-2-1-5-14-10/h3-4,6,10,14H,1-2,5H2,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide?
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 18073046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).