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

C21H17F3N2O4 — CID 46698388

IUPACN-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C21H17F3N2O4/c1-13(30-15-6-3-2-4-7-15)19(27)26-17-10-9-14(12-16(17)21(22,23)24)25-20(28)18-8-5-11-29-18/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyXNAISOMEQMXNQN-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.96
Rot. Bonds6

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

N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 46698388) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID46698388
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC NameN-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C21H17F3N2O4/c1-13(30-15-6-3-2-4-7-15)19(27)26-17-10-9-14(12-16(17)21(22,23)24)25-20(28)18-8-5-11-29-18/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKeyXNAISOMEQMXNQN-UHFFFAOYSA-N
XLogP4.96
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-phenoxypropanoylamino)phenyl]furan-2-carboxamide
CID 2993584
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46509122
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782218
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 43068367
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide
CID 41324439
N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 727485
5-(2-chlorophenyl)-N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062355

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 46698388) is N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(Oc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is XNAISOMEQMXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c1-13(30-15-6-3-2-4-7-15)19(27)26-17-10-9-14(12-16(17)21(22,23)24)25-20(28)18-8-5-11-29-18/h2-13H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 418.37 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46698388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).