4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide

C7H9FN2O — CID 130678031

IUPAC4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(F)c[nH]1
InChIInChI=1S/C7H9FN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h3-4,9H,1-2H3
InChIKeyXPNYDNCXYIHRAZ-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.86
Rot. Bonds1

About 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide

4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 130678031) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID130678031
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(F)c[nH]1
InChIInChI=1S/C7H9FN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h3-4,9H,1-2H3
InChIKeyXPNYDNCXYIHRAZ-UHFFFAOYSA-N
XLogP0.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
CID 130962748
4-fluoro-N-(2-methylprop-2-enyl)-1H-pyrrole-2-carboxamide
CID 126787465
N-but-3-ynyl-4-fluoro-1H-pyrrole-2-carboxamide
CID 130987822
N,N,4,5-tetramethyl-1H-pyrrole-2-carboxamide
CID 130005161
7-fluoro-N,N,6-trimethyl-1H-indole-2-carboxamide
CID 176932576
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 126766047
(4-fluoro-1H-pyrrol-2-yl)-(6-methyl-1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 146124593
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129487962
4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 60667423
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 70359048
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 130678031) is 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1cc(F)c[nH]1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is XPNYDNCXYIHRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h3-4,9H,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide?
4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 156.16 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 130678031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).