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

C19H24F2N2O — CID 4993053

IUPAC5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C(C)CCC(C)C
InChIInChI=1S/C19H24F2N2O/c1-11(2)5-6-12(3)23-13(4)15(19(22)24)10-18(23)14-7-8-16(20)17(21)9-14/h7-12H,5-6H2,1-4H3,(H2,22,24)
InChIKeyUWSBTNJYEHTOJG-UHFFFAOYSA-N
MW334.41 g/mol
LogP4.84
Rot. Bonds6

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

5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide (PubChem CID 4993053) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
PubChem CID4993053
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C(C)CCC(C)C
InChIInChI=1S/C19H24F2N2O/c1-11(2)5-6-12(3)23-13(4)15(19(22)24)10-18(23)14-7-8-16(20)17(21)9-14/h7-12H,5-6H2,1-4H3,(H2,22,24)
InChIKeyUWSBTNJYEHTOJG-UHFFFAOYSA-N
XLogP4.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 5016993
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828486
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 3823576
5-(3,4-difluorophenyl)-2-methyl-1-prop-2-ynylpyrrole-3-carboxamide
CID 3853810
5-(3,4-difluorophenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 4665187
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3845012
2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3723866
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 3807484
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3744012
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 82297727

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide (CID 4993053) is 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C(C)CCC(C)C.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
The InChIKey is UWSBTNJYEHTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O/c1-11(2)5-6-12(3)23-13(4)15(19(22)24)10-18(23)14-7-8-16(20)17(21)9-14/h7-12H,5-6H2,1-4H3,(H2,22,24).
What are the key properties of 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide?
5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 4993053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).