5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide

C12H10F2N2O — CID 116828389

IUPAC5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)c(F)c2)cc1C(N)=O
InChIInChI=1S/C12H10F2N2O/c1-6-8(12(15)17)5-11(16-6)7-2-3-9(13)10(14)4-7/h2-5,16H,1H3,(H2,15,17)
InChIKeyZEIQFQGMUNRYSO-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.37
Rot. Bonds2

About 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide

5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 116828389) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID116828389
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)c(F)c2)cc1C(N)=O
InChIInChI=1S/C12H10F2N2O/c1-6-8(12(15)17)5-11(16-6)7-2-3-9(13)10(14)4-7/h2-5,16H,1H3,(H2,15,17)
InChIKeyZEIQFQGMUNRYSO-UHFFFAOYSA-N
XLogP2.37
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828367
2-methyl-5-(4-pyrimidin-5-ylphenyl)-1H-pyrrole-3-carboxamide
CID 90415520
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
2-methyl-5-[3-[(E)-2-phenylethenyl]phenyl]-1H-pyrrole-3-carboxamide
CID 90414431
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
CID 86299303
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828486
2-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrrole-3-carboxamide
CID 90414813
5-[2-(2-fluorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 90413637
5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828429
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 4715364
2-[amino(formyl)amino]-5-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 174600238

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 116828389) is 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(F)c(F)c2)cc1C(N)=O.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZEIQFQGMUNRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-6-8(12(15)17)5-11(16-6)7-2-3-9(13)10(14)4-7/h2-5,16H,1H3,(H2,15,17).
What are the key properties of 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 116828389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).