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

C22H19F3N2O4 — CID 55782218

IUPACN-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O4/c1-13-3-6-17(7-4-13)31-14(2)20(28)27-19-8-5-16(11-18(19)22(23,24)25)26-21(29)15-9-10-30-12-15/h3-12,14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyKJCKBKTYFFQDBY-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.27
Rot. Bonds6

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

N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (PubChem CID 55782218) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
PubChem CID55782218
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC NameN-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N2O4/c1-13-3-6-17(7-4-13)31-14(2)20(28)27-19-8-5-16(11-18(19)22(23,24)25)26-21(29)15-9-10-30-12-15/h3-12,14H,1-2H3,(H,26,29)(H,27,28)
InChIKeyKJCKBKTYFFQDBY-UHFFFAOYSA-N
XLogP5.27
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(cyclopropylmethoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 86847265
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46509122
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55782313
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
CID 131948367
N-[4-[[2-(2-methylindol-1-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55781872
N-[4-(furan-3-carbonylamino)-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78886996

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide (CID 55782218) is N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is Cc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccoc3)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
The InChIKey is KJCKBKTYFFQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c1-13-3-6-17(7-4-13)31-14(2)20(28)27-19-8-5-16(11-18(19)22(23,24)25)26-21(29)15-9-10-30-12-15/h3-12,14H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide?
N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylphenoxy)propanoylamino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 55782218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).