N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide

C22H18F3NO3 — CID 161210544

IUPACN-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3ccco3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F3NO3/c1-14-4-2-5-15(10-14)11-17(27)12-16-7-8-19(18(13-16)22(23,24)25)26-21(28)20-6-3-9-29-20/h2-10,13H,11-12H2,1H3,(H,26,28)
InChIKeyUWEDSIQOIAJUIV-UHFFFAOYSA-N
MW401.38 g/mol
LogP5.21
Rot. Bonds6

About N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 161210544) has the molecular formula C22H18F3NO3 and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID161210544
Molecular FormulaC22H18F3NO3
Molecular Weight401.38 g/mol
Exact Mass401.12
IUPAC NameN-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3ccco3)c(C(F)(F)F)c2)c1
InChIInChI=1S/C22H18F3NO3/c1-14-4-2-5-15(10-14)11-17(27)12-16-7-8-19(18(13-16)22(23,24)25)26-21(28)20-6-3-9-29-20/h2-10,13H,11-12H2,1H3,(H,26,28)
InChIKeyUWEDSIQOIAJUIV-UHFFFAOYSA-N
XLogP5.21
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
CID 161306971
1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
CID 148858620
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871867
N-[4-[3-(2-bromophenyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501031
N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698448
methyl 4-[(E)-3-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]benzoate
CID 26062121

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 161210544) is N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1cccc(CC(=O)Cc2ccc(NC(=O)c3ccco3)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is UWEDSIQOIAJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3/c1-14-4-2-5-15(10-14)11-17(27)12-16-7-8-19(18(13-16)22(23,24)25)26-21(28)20-6-3-9-29-20/h2-10,13H,11-12H2,1H3,(H,26,28).
What are the key properties of N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 401.38 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 161210544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).