4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide

C24H25FN2O2 — CID 42810372

IUPAC4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)c(C(=O)NC(C)c2ccccc2)n(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C24H25FN2O2/c1-15-22(18(4)28)17(3)27(14-19-10-12-21(25)13-11-19)23(15)24(29)26-16(2)20-8-6-5-7-9-20/h5-13,16H,14H2,1-4H3,(H,26,29)
InChIKeySBLRKMYFSRIPHV-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.99
Rot. Bonds6

About 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide

4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide (PubChem CID 42810372) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide
PubChem CID42810372
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)c(C(=O)NC(C)c2ccccc2)n(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C24H25FN2O2/c1-15-22(18(4)28)17(3)27(14-19-10-12-21(25)13-11-19)23(15)24(29)26-16(2)20-8-6-5-7-9-20/h5-13,16H,14H2,1-4H3,(H,26,29)
InChIKeySBLRKMYFSRIPHV-UHFFFAOYSA-N
XLogP4.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3,5-dimethyl-N-[(1S)-1-phenylethyl]pyrrole-2-carboxamide
CID 7415422
4-[(4-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159035
4-benzyl-2-(4-fluorophenyl)-3,5-dioxo-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93158893
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369233
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide (CID 42810372) is 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide is CC(=O)c1c(C)c(C(=O)NC(C)c2ccccc2)n(Cc2ccc(F)cc2)c1C.
What is the InChIKey of 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is SBLRKMYFSRIPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-15-22(18(4)28)17(3)27(14-19-10-12-21(25)13-11-19)23(15)24(29)26-16(2)20-8-6-5-7-9-20/h5-13,16H,14H2,1-4H3,(H,26,29).
What are the key properties of 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide?
4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-[(4-fluorophenyl)methyl]-3,5-dimethyl-N-(1-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42810372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).