N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H15F3N2O4 — CID 55783153

IUPACN-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H15F3N2O4/c1-28-16-6-5-12(18(24)26)10-14(16)25-19(27)17-8-7-15(29-17)11-3-2-4-13(9-11)20(21,22)23/h2-10H,1H3,(H2,24,26)(H,25,27)
InChIKeyHVNPYIZSRYAABJ-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.33
Rot. Bonds5

About N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55783153) has the molecular formula C20H15F3N2O4 and a molecular weight of 404.34 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55783153
Molecular FormulaC20H15F3N2O4
Molecular Weight404.34 g/mol
Exact Mass404.10
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H15F3N2O4/c1-28-16-6-5-12(18(24)26)10-14(16)25-19(27)17-8-7-15(29-17)11-3-2-4-13(9-11)20(21,22)23/h2-10H,1H3,(H2,24,26)(H,25,27)
InChIKeyHVNPYIZSRYAABJ-UHFFFAOYSA-N
XLogP4.33
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871805
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38956788
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55783153) is N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is HVNPYIZSRYAABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O4/c1-28-16-6-5-12(18(24)26)10-14(16)25-19(27)17-8-7-15(29-17)11-3-2-4-13(9-11)20(21,22)23/h2-10H,1H3,(H2,24,26)(H,25,27).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 404.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55783153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).