N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide

C21H17F3N2O3 — CID 112762822

IUPACN-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)15-8-4-9-16(13-15)25-19(27)17(12-14-6-2-1-3-7-14)26-20(28)18-10-5-11-29-18/h1-11,13,17H,12H2,(H,25,27)(H,26,28)
InChIKeyAMRCSPJQZUBCMF-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.28
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide (PubChem CID 112762822) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
PubChem CID112762822
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C21H17F3N2O3/c22-21(23,24)15-8-4-9-16(13-15)25-19(27)17(12-14-6-2-1-3-7-14)26-20(28)18-10-5-11-29-18/h1-11,13,17H,12H2,(H,25,27)(H,26,28)
InChIKeyAMRCSPJQZUBCMF-UHFFFAOYSA-N
XLogP4.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112837580
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40863917
N-[1-[(2-methyl-2-phenylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55612800
N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904532
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide (CID 112762822) is N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide?
The InChIKey is AMRCSPJQZUBCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c22-21(23,24)15-8-4-9-16(13-15)25-19(27)17(12-14-6-2-1-3-7-14)26-20(28)18-10-5-11-29-18/h1-11,13,17H,12H2,(H,25,27)(H,26,28).
What are the key properties of N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 112762822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).