N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

C19H23FN2O — CID 25394128

IUPACN-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1F
InChIInChI=1S/C19H23FN2O/c1-13-12-16(19(23)21-15-8-4-3-5-9-15)14(2)22(13)18-11-7-6-10-17(18)20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyMZOVWKRZSIBAKL-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.30
Rot. Bonds3

About N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 25394128) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID25394128
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1F
InChIInChI=1S/C19H23FN2O/c1-13-12-16(19(23)21-15-8-4-3-5-9-15)14(2)22(13)18-11-7-6-10-17(18)20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyMZOVWKRZSIBAKL-UHFFFAOYSA-N
XLogP4.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 24655315
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453913
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
cis-(1R,3S)-3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678201
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide
CID 71936977
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide
CID 100624803
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 25394128) is N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccccc1F.
What is the InChIKey of N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is MZOVWKRZSIBAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-13-12-16(19(23)21-15-8-4-3-5-9-15)14(2)22(13)18-11-7-6-10-17(18)20/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 314.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 25394128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).