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

C16H15F3N2O3 — CID 867013

IUPAC4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C16H15F3N2O3/c1-8-13(10(3)22)9(2)20-14(8)15(23)21-11-4-6-12(7-5-11)24-16(17,18)19/h4-7,20H,1-3H3,(H,21,23)
InChIKeyQKEIFLQYGQKUFW-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.99
Rot. Bonds4

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

4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 867013) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID867013
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C
InChIInChI=1S/C16H15F3N2O3/c1-8-13(10(3)22)9(2)20-14(8)15(23)21-11-4-6-12(7-5-11)24-16(17,18)19/h4-7,20H,1-3H3,(H,21,23)
InChIKeyQKEIFLQYGQKUFW-UHFFFAOYSA-N
XLogP3.99
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866996
4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866998
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
4-Acetyl-N-[3-(2-Amino-2-Oxoethoxy)phenyl]-3-Ethyl-5-Methyl-1h-Pyrrole-2-Carboxamide
CID 71940129
4-acetyl-N-(3-chloro-4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867011
4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867014
4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2086522
4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2115839
4-acetyl-N-(3-chloro-4-methoxyphenyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 3236044
4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 3236655
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
1-(5-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}-2,4-dimethyl-1H-pyrrol-3-yl)ethanone
CID 3241918

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide (CID 867013) is 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QKEIFLQYGQKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-8-13(10(3)22)9(2)20-14(8)15(23)21-11-4-6-12(7-5-11)24-16(17,18)19/h4-7,20H,1-3H3,(H,21,23).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.99, 4 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-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 867013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).