4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide

C16H15F3N2O3 — CID 38545760

IUPAC4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O3/c1-10(22)12-7-14(20-8-12)15(23)21(2)9-11-3-5-13(6-4-11)24-16(17,18)19/h3-8,20H,9H2,1-2H3
InChIKeyYYEAVZIMFWDVMS-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.39
Rot. Bonds5

About 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 38545760) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID38545760
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O3/c1-10(22)12-7-14(20-8-12)15(23)21(2)9-11-3-5-13(6-4-11)24-16(17,18)19/h3-8,20H,9H2,1-2H3
InChIKeyYYEAVZIMFWDVMS-UHFFFAOYSA-N
XLogP3.39
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 55571580
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 55580589
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 24546550
N-methyl-5-(5-methylfuran-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 112828913
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591
2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24616434
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
3-[[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]amino]propanoic acid
CID 122019413
2-chloro-6-fluoro-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55581074
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 38545760) is 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is YYEAVZIMFWDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-10(22)12-7-14(20-8-12)15(23)21(2)9-11-3-5-13(6-4-11)24-16(17,18)19/h3-8,20H,9H2,1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 38545760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).