ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide

C51H64F2N6O2 — CID 142280211

IUPACethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide
SMILESCC.Cc1c[nH]cc1-c1ccc(F)cc1.Cc1cc(C2CCC(C)CC2)ccn1.Cc1cc(C2CCC(CNC=O)CC2)ccn1.NC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C14H20N2O.C13H19N.C11H9FN2O.C11H10FN.C2H6/c1-11-8-14(6-7-16-11)13-4-2-12(3-5-13)9-15-10-17;1-10-3-5-12(6-4-10)13-7-8-14-11(2)9-13;12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15;1-8-6-13-7-11(8)9-2-4-10(12)5-3-9;1-2/h6-8,10,12-13H,2-5,9H2,1H3,(H,15,17);7-10,12H,3-6H2,1-2H3;1-6,14H,(H2,13,15);2-7,13H,1H3;1-2H3
InChIKeyXZORFIXJHGPSNY-UHFFFAOYSA-N
MW831.11 g/mol
LogP12.17
Rot. Bonds8

About ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide

ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide (PubChem CID 142280211) has the molecular formula C51H64F2N6O2 and a molecular weight of 831.11 g/mol. Its IUPAC name is ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound Nameethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide
PubChem CID142280211
Molecular FormulaC51H64F2N6O2
Molecular Weight831.11 g/mol
Exact Mass830.51
IUPAC Nameethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide
SMILESCC.Cc1c[nH]cc1-c1ccc(F)cc1.Cc1cc(C2CCC(C)CC2)ccn1.Cc1cc(C2CCC(CNC=O)CC2)ccn1.NC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C14H20N2O.C13H19N.C11H9FN2O.C11H10FN.C2H6/c1-11-8-14(6-7-16-11)13-4-2-12(3-5-13)9-15-10-17;1-10-3-5-12(6-4-10)13-7-8-14-11(2)9-13;12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15;1-8-6-13-7-11(8)9-2-4-10(12)5-3-9;1-2/h6-8,10,12-13H,2-5,9H2,1H3,(H,15,17);7-10,12H,3-6H2,1-2H3;1-6,14H,(H2,13,15);2-7,13H,1H3;1-2H3
InChIKeyXZORFIXJHGPSNY-UHFFFAOYSA-N
XLogP12.17
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.11
LogP ≤ 512.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
The IUPAC name of ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide (CID 142280211) is ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide.
What is the SMILES notation for ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
The canonical SMILES for ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide is CC.Cc1c[nH]cc1-c1ccc(F)cc1.Cc1cc(C2CCC(C)CC2)ccn1.Cc1cc(C2CCC(CNC=O)CC2)ccn1.NC(=O)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
The InChIKey is XZORFIXJHGPSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C13H19N.C11H9FN2O.C11H10FN.C2H6/c1-11-8-14(6-7-16-11)13-4-2-12(3-5-13)9-15-10-17;1-10-3-5-12(6-4-10)13-7-8-14-11(2)9-13;12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15;1-8-6-13-7-11(8)9-2-4-10(12)5-3-9;1-2/h6-8,10,12-13H,2-5,9H2,1H3,(H,15,17);7-10,12H,3-6H2,1-2H3;1-6,14H,(H2,13,15);2-7,13H,1H3;1-2H3.
What are the key properties of ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide has a molecular weight of 831.11 g/mol, XLogP of 12.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-fluorophenyl)-4-methyl-1H-pyrrole;4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;2-methyl-4-(4-methylcyclohexyl)pyridine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 142280211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).