N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C22H19F3N2O4 — CID 86938042

IUPACN-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1C
InChIInChI=1S/C22H19F3N2O4/c1-3-30-18-9-6-14(11-13(18)2)20(28)27-17-8-7-15(12-16(17)22(23,24)25)26-21(29)19-5-4-10-31-19/h4-12H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyKKBUCSPCLBRMHH-UHFFFAOYSA-N
MW432.40 g/mol
LogP5.51
Rot. Bonds6

About N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 86938042) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID86938042
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC NameN-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1C
InChIInChI=1S/C22H19F3N2O4/c1-3-30-18-9-6-14(11-13(18)2)20(28)27-17-8-7-15(12-16(17)22(23,24)25)26-21(29)19-5-4-10-31-19/h4-12H,3H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyKKBUCSPCLBRMHH-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
N-[4-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 112832589
N-[4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062195
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698448
N-[4-[3-[(2-methylbenzoyl)amino]propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 30085758
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 55871867
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 86938042) is N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1C.
What is the InChIKey of N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is KKBUCSPCLBRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c1-3-30-18-9-6-14(11-13(18)2)20(28)27-17-8-7-15(12-16(17)22(23,24)25)26-21(29)19-5-4-10-31-19/h4-12H,3H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86938042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).