N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide

C12H11FN2O — CID 126795374

IUPACN-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(C(=O)c1cc[nH]c1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-15(11-4-2-10(13)3-5-11)12(16)9-6-7-14-8-9/h2-8,14H,1H3
InChIKeyAGHUMGSBHSEFDK-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.43
Rot. Bonds2

About N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide

N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 126795374) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID126795374
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC NameN-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(C(=O)c1cc[nH]c1)c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-15(11-4-2-10(13)3-5-11)12(16)9-6-7-14-8-9/h2-8,14H,1H3
InChIKeyAGHUMGSBHSEFDK-UHFFFAOYSA-N
XLogP2.43
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 113094823
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N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
2-chloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61061331
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
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3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
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CID 25491019

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide (CID 126795374) is N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide is CN(C(=O)c1cc[nH]c1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is AGHUMGSBHSEFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-15(11-4-2-10(13)3-5-11)12(16)9-6-7-14-8-9/h2-8,14H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide?
N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 218.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126795374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).