N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide

C18H20F2N2O — CID 175680539

IUPACN-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccn(Cc2c(F)cccc2F)c1
InChIInChI=1S/C18H20F2N2O/c19-16-7-4-8-17(20)15(16)12-22-10-9-13(11-22)18(23)21-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,21,23)
InChIKeyMTUCAQQSHARHPG-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.88
Rot. Bonds4

About N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide

N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide (PubChem CID 175680539) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide
PubChem CID175680539
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccn(Cc2c(F)cccc2F)c1
InChIInChI=1S/C18H20F2N2O/c19-16-7-4-8-17(20)15(16)12-22-10-9-13(11-22)18(23)21-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,21,23)
InChIKeyMTUCAQQSHARHPG-UHFFFAOYSA-N
XLogP3.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109044796
1-benzyl-3-N-cyclopropyl-5-N-[(2,6-difluorophenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 42238224
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
N-cyclohexyl-4-[(2,6-difluorophenyl)sulfamoyl]benzamide
CID 109059522
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide (CID 175680539) is N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide is O=C(NC1CCCCC1)c1ccn(Cc2c(F)cccc2F)c1.
What is the InChIKey of N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is MTUCAQQSHARHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-16-7-4-8-17(20)15(16)12-22-10-9-13(11-22)18(23)21-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12H2,(H,21,23).
What are the key properties of N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide?
N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2,6-difluorophenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 175680539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).