4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide

C23H21F2N3O — CID 3734908

IUPAC4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C23H21F2N3O/c1-3-4-20-22(17-8-5-15(12-26)6-9-17)21(23(27)29)14(2)28(20)13-16-7-10-18(24)19(25)11-16/h5-11H,3-4,13H2,1-2H3,(H2,27,29)
InChIKeyKXVSTAKVPJEISK-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.71
Rot. Bonds6

About 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide

4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide (PubChem CID 3734908) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
PubChem CID3734908
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccc(F)c(F)c1
InChIInChI=1S/C23H21F2N3O/c1-3-4-20-22(17-8-5-15(12-26)6-9-17)21(23(27)29)14(2)28(20)13-16-7-10-18(24)19(25)11-16/h5-11H,3-4,13H2,1-2H3,(H2,27,29)
InChIKeyKXVSTAKVPJEISK-UHFFFAOYSA-N
XLogP4.71
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
1-[(3,4-difluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3790271
1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-methyl-4-phenylpyrrole-3-carboxamide
CID 3773581
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-[(3-methylphenyl)methyl]pyrrole-3-carboxamide
CID 3732537
1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-4-thiophen-3-ylpyrrole-3-carboxamide
CID 3466776
1-[(3,4-difluorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3466773
5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-thiophen-2-ylpyrrole-3-carboxamide
CID 3459662
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
5-butyl-4-(4-cyanophenyl)-1-(3,3-dimethylbutyl)-2-methylpyrrole-3-carboxamide
CID 3445579
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561
4-(4-cyanophenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 5012624
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide (CID 3734908) is 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(C#N)cc2)c(C(N)=O)c(C)n1Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide?
The InChIKey is KXVSTAKVPJEISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c1-3-4-20-22(17-8-5-15(12-26)6-9-17)21(23(27)29)14(2)28(20)13-16-7-10-18(24)19(25)11-16/h5-11H,3-4,13H2,1-2H3,(H2,27,29).
What are the key properties of 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide?
4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3734908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).