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

C22H22F2N2O — CID 5016993

IUPAC5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C(C)CCc1ccccc1
InChIInChI=1S/C22H22F2N2O/c1-14(8-9-16-6-4-3-5-7-16)26-15(2)18(22(25)27)13-21(26)17-10-11-19(23)20(24)12-17/h3-7,10-14H,8-9H2,1-2H3,(H2,25,27)
InChIKeyNFPCUWWYRJAHHR-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.03
Rot. Bonds6

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

5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide (PubChem CID 5016993) has the molecular formula C22H22F2N2O and a molecular weight of 368.43 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
PubChem CID5016993
Molecular FormulaC22H22F2N2O
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C(C)CCc1ccccc1
InChIInChI=1S/C22H22F2N2O/c1-14(8-9-16-6-4-3-5-7-16)26-15(2)18(22(25)27)13-21(26)17-10-11-19(23)20(24)12-17/h3-7,10-14H,8-9H2,1-2H3,(H2,25,27)
InChIKeyNFPCUWWYRJAHHR-UHFFFAOYSA-N
XLogP5.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-difluorophenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 4993053
5-(3-cyanophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide
CID 3807484
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828486
2-methyl-5-phenyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3723866
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
2-methyl-5-(3-nitrophenyl)-1-octan-2-ylpyrrole-3-carboxamide
CID 3346252
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
5-(2-methoxyphenyl)-2-methyl-1-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 3823576
5-(3,4-difluorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid
CID 82297727
1-(1-methoxypropan-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799832

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide (CID 5016993) is 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2ccc(F)c(F)c2)n1C(C)CCc1ccccc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
The InChIKey is NFPCUWWYRJAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O/c1-14(8-9-16-6-4-3-5-7-16)26-15(2)18(22(25)27)13-21(26)17-10-11-19(23)20(24)12-17/h3-7,10-14H,8-9H2,1-2H3,(H2,25,27).
What are the key properties of 5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide?
5-(3,4-difluorophenyl)-2-methyl-1-(4-phenylbutan-2-yl)pyrrole-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 5.03, 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-(4-phenylbutan-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 5016993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).