N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide

C13H13FN2O — CID 900701

IUPACN-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c1-9-3-4-10(2)16(9)15-13(17)11-5-7-12(14)8-6-11/h3-8H,1-2H3,(H,15,17)
InChIKeyFFSJXHPRRZHODG-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.63
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide

N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide (PubChem CID 900701) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
PubChem CID900701
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c1-9-3-4-10(2)16(9)15-13(17)11-5-7-12(14)8-6-11/h3-8H,1-2H3,(H,15,17)
InChIKeyFFSJXHPRRZHODG-UHFFFAOYSA-N
XLogP2.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 102851818
4-amino-N-(2,5-dimethylpyrrol-1-yl)-3-fluorobenzamide
CID 79100668
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 79106798
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
CID 110716409
6-chloro-N-(2,5-dimethylpyrrol-1-yl)pyridine-3-carboxamide
CID 79101544
3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 78913286
4-fluorobenzohydrazide
CID 9972
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
CID 170307924
CID 170307924
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide (CID 900701) is N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide is Cc1ccc(C)n1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
The InChIKey is FFSJXHPRRZHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-3-4-10(2)16(9)15-13(17)11-5-7-12(14)8-6-11/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide?
N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide has a molecular weight of 232.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 900701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).