4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene

C24H29FN2O — CID 142280032

IUPAC4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCC1CCC(C2=CCCC=C2)CC1.NC(=O)c1c[nH]cc1-c1ccccc1F
InChIInChI=1S/C13H20.C11H9FN2O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;12-10-4-2-1-3-7(10)8-5-14-6-9(8)11(13)15/h3,5-6,11,13H,2,4,7-10H2,1H3;1-6,14H,(H2,13,15)
InChIKeyWSULOBPMUVHGJR-UHFFFAOYSA-N
MW380.51 g/mol
LogP6.01
Rot. Bonds3

About 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene

4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 142280032) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene
PubChem CID142280032
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene
SMILESCC1CCC(C2=CCCC=C2)CC1.NC(=O)c1c[nH]cc1-c1ccccc1F
InChIInChI=1S/C13H20.C11H9FN2O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;12-10-4-2-1-3-7(10)8-5-14-6-9(8)11(13)15/h3,5-6,11,13H,2,4,7-10H2,1H3;1-6,14H,(H2,13,15)
InChIKeyWSULOBPMUVHGJR-UHFFFAOYSA-N
XLogP6.01
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
4-[5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]benzamide
CID 71449748
phenyl(4-phenyl-1H-pyrrol-3-yl)methanone
CID 845957
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2-(2-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
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2-(3-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809691
2-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809692
5-Pyridin-4-yl-2-p-tolyl-1H-pyrrole-3-carboxamide
CID 24809724
5-(3-Fluoro-pyridin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809762
2-cyclohexyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788628
18F-Fndp
CID 138319964
US9150581, Rti-7527-169
CID 89669925

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene (CID 142280032) is 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene is CC1CCC(C2=CCCC=C2)CC1.NC(=O)c1c[nH]cc1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is WSULOBPMUVHGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C11H9FN2O/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;12-10-4-2-1-3-7(10)8-5-14-6-9(8)11(13)15/h3,5-6,11,13H,2,4,7-10H2,1H3;1-6,14H,(H2,13,15).
What are the key properties of 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene?
4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 380.51 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1H-pyrrole-3-carboxamide;2-(4-methylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 142280032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).