4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide

C18H19F3N2O3 — CID 60575158

IUPAC4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O3/c1-9-5-6-13(14(7-9)26-8-18(19,20)21)23-17(25)16-10(2)15(12(4)24)11(3)22-16/h5-7,22H,8H2,1-4H3,(H,23,25)
InChIKeyRFCPRHYLHNOJRA-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.34
Rot. Bonds5

About 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 60575158) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID60575158
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1C
InChIInChI=1S/C18H19F3N2O3/c1-9-5-6-13(14(7-9)26-8-18(19,20)21)23-17(25)16-10(2)15(12(4)24)11(3)22-16/h5-7,22H,8H2,1-4H3,(H,23,25)
InChIKeyRFCPRHYLHNOJRA-UHFFFAOYSA-N
XLogP4.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
4-acetyl-N-(4-butoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 52719722
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575425
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814141
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
CID 76869273
1-(4-hydroxy-2,2-dimethylbutyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111474236
4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
1-cyclopropyl-1-(2-hydroxyethyl)-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 110903994

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide (CID 60575158) is 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RFCPRHYLHNOJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-9-5-6-13(14(7-9)26-8-18(19,20)21)23-17(25)16-10(2)15(12(4)24)11(3)22-16/h5-7,22H,8H2,1-4H3,(H,23,25).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60575158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).