N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide

C18H22N2O — CID 24537639

IUPACN-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
SMILESCC1CCCCC1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-6-2-3-7-17(14)19-18(21)15-8-10-16(11-9-15)20-12-4-5-13-20/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,19,21)
InChIKeyXMUWPLUVHAESPD-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds3

About N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide

N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide (PubChem CID 24537639) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
PubChem CID24537639
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
SMILESCC1CCCCC1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14-6-2-3-7-17(14)19-18(21)15-8-10-16(11-9-15)20-12-4-5-13-20/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,19,21)
InChIKeyXMUWPLUVHAESPD-UHFFFAOYSA-N
XLogP3.79
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
N-[(1S,2S)-2-methylcyclohexyl]-4-methylsulfanylbenzamide
CID 8624319
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 46651476
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-imidazo[4,5-b]pyridin-3-yl-N-(2-methylcyclohexyl)benzamide
CID 20916012
4-hydrazinyl-N-(2-methylcyclopentyl)benzamide
CID 63279138
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide (CID 24537639) is N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide is CC1CCCCC1NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is XMUWPLUVHAESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-6-2-3-7-17(14)19-18(21)15-8-10-16(11-9-15)20-12-4-5-13-20/h4-5,8-14,17H,2-3,6-7H2,1H3,(H,19,21).
What are the key properties of N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide?
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24537639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).