2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide

C19H31FN2O — CID 70967341

IUPAC2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
SMILESCc1cn(C)c(F)c1C(=O)NC1CCCCC1C(C)CC(C)C
InChIInChI=1S/C19H31FN2O/c1-12(2)10-13(3)15-8-6-7-9-16(15)21-19(23)17-14(4)11-22(5)18(17)20/h11-13,15-16H,6-10H2,1-5H3,(H,21,23)
InChIKeyNBZYJPDSLPEZBI-UHFFFAOYSA-N
MW322.47 g/mol
LogP4.44
Rot. Bonds5

About 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide

2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide (PubChem CID 70967341) has the molecular formula C19H31FN2O and a molecular weight of 322.47 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
PubChem CID70967341
Molecular FormulaC19H31FN2O
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC Name2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
SMILESCc1cn(C)c(F)c1C(=O)NC1CCCCC1C(C)CC(C)C
InChIInChI=1S/C19H31FN2O/c1-12(2)10-13(3)15-8-6-7-9-16(15)21-19(23)17-14(4)11-22(5)18(17)20/h11-13,15-16H,6-10H2,1-5H3,(H,21,23)
InChIKeyNBZYJPDSLPEZBI-UHFFFAOYSA-N
XLogP4.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
The IUPAC name of 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide (CID 70967341) is 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide is Cc1cn(C)c(F)c1C(=O)NC1CCCCC1C(C)CC(C)C.
What is the InChIKey of 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
The InChIKey is NBZYJPDSLPEZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN2O/c1-12(2)10-13(3)15-8-6-7-9-16(15)21-19(23)17-14(4)11-22(5)18(17)20/h11-13,15-16H,6-10H2,1-5H3,(H,21,23).
What are the key properties of 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide is sourced from PubChem (CID 70967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).