5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide

C13H12F2N2O — CID 116828486

IUPAC5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C
InChIInChI=1S/C13H12F2N2O/c1-7-9(13(16)18)6-12(17(7)2)8-3-4-10(14)11(15)5-8/h3-6H,1-2H3,(H2,16,18)
InChIKeyXYZMWXBGMUQRQM-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.38
Rot. Bonds2

About 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide

5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 116828486) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
PubChem CID116828486
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C
InChIInChI=1S/C13H12F2N2O/c1-7-9(13(16)18)6-12(17(7)2)8-3-4-10(14)11(15)5-8/h3-6H,1-2H3,(H2,16,18)
InChIKeyXYZMWXBGMUQRQM-UHFFFAOYSA-N
XLogP2.38
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 82297727
5-(3,4-difluorophenyl)-2-methyl-1-prop-2-ynylpyrrole-3-carboxamide
CID 3853810
5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 4993053
5-(3,4-difluorophenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 4665187
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128
5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 5016993
5-(3,4-difluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 116828389
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3848733
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
2-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3348125
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide (CID 116828486) is 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C.
What is the InChIKey of 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is XYZMWXBGMUQRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-7-9(13(16)18)6-12(17(7)2)8-3-4-10(14)11(15)5-8/h3-6H,1-2H3,(H2,16,18).
What are the key properties of 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide?
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 116828486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).