N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

C19H23FN2O — CID 3881988

IUPACN-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-13-12-18(19(23)21-16-6-4-3-5-7-16)14(2)22(13)17-10-8-15(20)9-11-17/h8-12,16H,3-7H2,1-2H3,(H,21,23)
InChIKeyGHKAEQQTNJGAAS-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.30
Rot. Bonds3

About N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 3881988) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID3881988
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O/c1-13-12-18(19(23)21-16-6-4-3-5-7-16)14(2)22(13)17-10-8-15(20)9-11-17/h8-12,16H,3-7H2,1-2H3,(H,21,23)
InChIKeyGHKAEQQTNJGAAS-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 3881988) is N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is GHKAEQQTNJGAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-13-12-18(19(23)21-16-6-4-3-5-7-16)14(2)22(13)17-10-8-15(20)9-11-17/h8-12,16H,3-7H2,1-2H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-cyclohexyl-1-(4-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-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3881988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).