N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide

C14H16FN3O — CID 55166872

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C14H16FN3O/c1-9-11(15)5-10(7-16)6-12(9)18-13(19)14(2)3-4-17-8-14/h5-6,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyJIQCSIRLHWEKLV-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.94
Rot. Bonds2

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

N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 55166872) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID55166872
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C14H16FN3O/c1-9-11(15)5-10(7-16)6-12(9)18-13(19)14(2)3-4-17-8-14/h5-6,17H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyJIQCSIRLHWEKLV-UHFFFAOYSA-N
XLogP1.94
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 55166872) is N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1c(F)cc(C#N)cc1NC(=O)C1(C)CCNC1.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is JIQCSIRLHWEKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-11(15)5-10(7-16)6-12(9)18-13(19)14(2)3-4-17-8-14/h5-6,17H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55166872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).