1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide

C21H20F2N2O — CID 3773581

IUPAC1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H20F2N2O/c1-3-18-20(15-7-5-4-6-8-15)19(21(24)26)13(2)25(18)12-14-9-10-16(22)17(23)11-14/h4-11H,3,12H2,1-2H3,(H2,24,26)
InChIKeyZQTMHFXJQUPBER-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.45
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide (PubChem CID 3773581) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
PubChem CID3773581
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccccc2)c(C(N)=O)c(C)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H20F2N2O/c1-3-18-20(15-7-5-4-6-8-15)19(21(24)26)13(2)25(18)12-14-9-10-16(22)17(23)11-14/h4-11H,3,12H2,1-2H3,(H2,24,26)
InChIKeyZQTMHFXJQUPBER-UHFFFAOYSA-N
XLogP4.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-ethyl-2-methyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3797302
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3466776
4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3734908
5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3459662
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1-[(3,4-difluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3466773
1-[(3,4-difluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3790271
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3732537
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[(3,4-difluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 3804741

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide (CID 3773581) is 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide is CCc1c(-c2ccccc2)c(C(N)=O)c(C)n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide?
The InChIKey is ZQTMHFXJQUPBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c1-3-18-20(15-7-5-4-6-8-15)19(21(24)26)13(2)25(18)12-14-9-10-16(22)17(23)11-14/h4-11H,3,12H2,1-2H3,(H2,24,26).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 3773581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).