5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide

C19H23FN2O — CID 22518253

IUPAC5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NC1CCCCC1C
InChIInChI=1S/C19H23FN2O/c1-12-5-3-4-6-17(12)22-19(23)16-11-18(21-13(16)2)14-7-9-15(20)10-8-14/h7-12,17,21H,3-6H2,1-2H3,(H,22,23)
InChIKeyNQZYDWWBAABISO-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.44
Rot. Bonds3

About 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide

5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide (PubChem CID 22518253) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
PubChem CID22518253
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NC1CCCCC1C
InChIInChI=1S/C19H23FN2O/c1-12-5-3-4-6-17(12)22-19(23)16-11-18(21-13(16)2)14-7-9-15(20)10-8-14/h7-12,17,21H,3-6H2,1-2H3,(H,22,23)
InChIKeyNQZYDWWBAABISO-UHFFFAOYSA-N
XLogP4.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
CID 62073290
N-(2-methylcyclohexyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497911
5-(4-fluorophenyl)-N-(2-methylcyclohexyl)furan-2-carboxamide
CID 24502726
5-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084334
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
N-(2-methylcyclohexyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497320
3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
CID 107121182
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide (CID 22518253) is 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NC1CCCCC1C.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide?
The InChIKey is NQZYDWWBAABISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-12-5-3-4-6-17(12)22-19(23)16-11-18(21-13(16)2)14-7-9-15(20)10-8-14/h7-12,17,21H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide?
5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 22518253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).