N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide

C11H12F2N2O — CID 6469576

IUPACN-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCCC1
InChIInChI=1S/C11H12F2N2O/c12-8-3-4-10(9(13)7-8)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)
InChIKeyCPBDOIXLUULXND-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.59
Rot. Bonds1

About N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide

N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 6469576) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
PubChem CID6469576
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC NameN-(2,4-difluorophenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCCC1
InChIInChI=1S/C11H12F2N2O/c12-8-3-4-10(9(13)7-8)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)
InChIKeyCPBDOIXLUULXND-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide (CID 6469576) is N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCCC1.
What is the InChIKey of N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is CPBDOIXLUULXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-3-4-10(9(13)7-8)14-11(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16).
What are the key properties of N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide?
N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 6469576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).