4-fluoro-N-methyl-1H-pyrrole-2-carboxamide

C6H7FN2O — CID 130962748

IUPAC4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C6H7FN2O/c1-8-6(10)5-2-4(7)3-9-5/h2-3,9H,1H3,(H,8,10)
InChIKeyWZVQOUPIZFODJW-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.51
Rot. Bonds1

About 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide

4-fluoro-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 130962748) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID130962748
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(F)c[nH]1
InChIInChI=1S/C6H7FN2O/c1-8-6(10)5-2-4(7)3-9-5/h2-3,9H,1H3,(H,8,10)
InChIKeyWZVQOUPIZFODJW-UHFFFAOYSA-N
XLogP0.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
CID 126787465
4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 130678031
N-but-3-ynyl-4-fluoro-1H-pyrrole-2-carboxamide
CID 130987822
4-fluoro-N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 126771598
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129487962
4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 167790330
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
4-[4-(carbamoylamino)phenoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 141180654
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
4-fluoro-N-[1-[(2-methylhexanoylamino)methyl]cyclobutyl]-1H-pyrrole-2-carboxamide
CID 167752880

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide (CID 130962748) is 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1cc(F)c[nH]1.
What is the InChIKey of 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is WZVQOUPIZFODJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-8-6(10)5-2-4(7)3-9-5/h2-3,9H,1H3,(H,8,10).
What are the key properties of 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide?
4-fluoro-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 142.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 130962748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).