4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide

C18H18FN3O — CID 71971161

IUPAC4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)N(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C18H18FN3O/c1-21-12-13(11-20)9-17(21)18(23)22(15-6-2-3-7-15)16-8-4-5-14(19)10-16/h4-5,8-10,12,15H,2-3,6-7H2,1H3
InChIKeyLMXOKFLOUUPTHW-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.63
Rot. Bonds3

About 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide

4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 71971161) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID71971161
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)N(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C18H18FN3O/c1-21-12-13(11-20)9-17(21)18(23)22(15-6-2-3-7-15)16-8-4-5-14(19)10-16/h4-5,8-10,12,15H,2-3,6-7H2,1H3
InChIKeyLMXOKFLOUUPTHW-UHFFFAOYSA-N
XLogP3.63
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide (CID 71971161) is 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(C#N)cc1C(=O)N(c1cccc(F)c1)C1CCCC1.
What is the InChIKey of 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is LMXOKFLOUUPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-21-12-13(11-20)9-17(21)18(23)22(15-6-2-3-7-15)16-8-4-5-14(19)10-16/h4-5,8-10,12,15H,2-3,6-7H2,1H3.
What are the key properties of 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide?
4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopentyl-N-(3-fluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71971161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).