N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide

C12H14F2N2O2 — CID 61214007

IUPACN-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C12H14F2N2O2/c1-18-8-5-11(15-6-8)12(17)16-10-4-7(13)2-3-9(10)14/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)
InChIKeyAYSKNXHWMFCNHC-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.28
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide

N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214007) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214007
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C12H14F2N2O2/c1-18-8-5-11(15-6-8)12(17)16-10-4-7(13)2-3-9(10)14/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)
InChIKeyAYSKNXHWMFCNHC-UHFFFAOYSA-N
XLogP1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213171
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(2,6-dichloro-4-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 83079301
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214476
N-(2-chloro-5-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 103832911
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81349681
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214007) is N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is AYSKNXHWMFCNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-18-8-5-11(15-6-8)12(17)16-10-4-7(13)2-3-9(10)14/h2-4,8,11,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 256.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).