N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide

C14H16FN3O2 — CID 61214046

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(C#N)cc(F)c2C)C1
InChIInChI=1S/C14H16FN3O2/c1-8-11(15)3-9(6-16)4-12(8)18-14(19)13-5-10(20-2)7-17-13/h3-4,10,13,17H,5,7H2,1-2H3,(H,18,19)
InChIKeySIRADTLLOOGWEC-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.32
Rot. Bonds3

About N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide

N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214046) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214046
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(C#N)cc(F)c2C)C1
InChIInChI=1S/C14H16FN3O2/c1-8-11(15)3-9(6-16)4-12(8)18-14(19)13-5-10(20-2)7-17-13/h3-4,10,13,17H,5,7H2,1-2H3,(H,18,19)
InChIKeySIRADTLLOOGWEC-UHFFFAOYSA-N
XLogP1.32
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214046) is N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cc(C#N)cc(F)c2C)C1.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SIRADTLLOOGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-11(15)3-9(6-16)4-12(8)18-14(19)13-5-10(20-2)7-17-13/h3-4,10,13,17H,5,7H2,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).