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

C14H15FN2O — CID 47101401

IUPAC1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H15FN2O/c1-9-8-13(14(18)16-3)10(2)17(9)12-6-4-11(15)5-7-12/h4-8H,1-3H3,(H,16,18)
InChIKeyKGLMYDXBPVOKON-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.59
Rot. Bonds2

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

1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 47101401) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
PubChem CID47101401
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
SMILESCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H15FN2O/c1-9-8-13(14(18)16-3)10(2)17(9)12-6-4-11(15)5-7-12/h4-8H,1-3H3,(H,16,18)
InChIKeyKGLMYDXBPVOKON-UHFFFAOYSA-N
XLogP2.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.59
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-(4-fluorophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide;hydrochloride
CID 119502796
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277
N-[(2R)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003403
N-[(2S)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003402
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 2572789
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 6381576
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 6057669
5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]pentanoic acid
CID 119234411
1-(4-fluorophenyl)-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]pyrrole-3-carboxamide
CID 2355859
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217378

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide (CID 47101401) is 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide is CNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is KGLMYDXBPVOKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9-8-13(14(18)16-3)10(2)17(9)12-6-4-11(15)5-7-12/h4-8H,1-3H3,(H,16,18).
What are the key properties of 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide?
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 47101401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).