1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide

C26H22F2N2O — CID 4315211

IUPAC1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1F
InChIInChI=1S/C26H22F2N2O/c1-17(19-9-5-3-6-10-19)29-26(31)22-16-25(20-11-7-4-8-12-20)30(18(22)2)24-14-13-21(27)15-23(24)28/h3-17H,1-2H3,(H,29,31)
InChIKeyZDSKUJRKMXGCDO-UHFFFAOYSA-N
MW416.47 g/mol
LogP6.22
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide

1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 4315211) has the molecular formula C26H22F2N2O and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID4315211
Molecular FormulaC26H22F2N2O
Molecular Weight416.47 g/mol
Exact Mass416.17
IUPAC Name1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1F
InChIInChI=1S/C26H22F2N2O/c1-17(19-9-5-3-6-10-19)29-26(31)22-16-25(20-11-7-4-8-12-20)30(18(22)2)24-14-13-21(27)15-23(24)28/h3-17H,1-2H3,(H,29,31)
InChIKeyZDSKUJRKMXGCDO-UHFFFAOYSA-N
XLogP6.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
5-(3-methoxyphenyl)-2-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
CID 42665947
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
[4-[1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 42789043
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 58358774
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (CID 4315211) is 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide is Cc1c(C(=O)NC(C)c2ccccc2)cc(-c2ccccc2)n1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is ZDSKUJRKMXGCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O/c1-17(19-9-5-3-6-10-19)29-26(31)22-16-25(20-11-7-4-8-12-20)30(18(22)2)24-14-13-21(27)15-23(24)28/h3-17H,1-2H3,(H,29,31).
What are the key properties of 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 4315211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).