N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H17F3N2O3 — CID 29428114

IUPACN-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C21H17F3N2O3/c1-26(2)20(28)13-6-8-16(9-7-13)25-19(27)18-11-10-17(29-18)14-4-3-5-15(12-14)21(22,23)24/h3-12H,1-2H3,(H,25,27)
InChIKeyLYTBKTXPSKSMJN-UHFFFAOYSA-N
MW402.37 g/mol
LogP4.92
Rot. Bonds4

About N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 29428114) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID29428114
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C21H17F3N2O3/c1-26(2)20(28)13-6-8-16(9-7-13)25-19(27)18-11-10-17(29-18)14-4-3-5-15(12-14)21(22,23)24/h3-12H,1-2H3,(H,25,27)
InChIKeyLYTBKTXPSKSMJN-UHFFFAOYSA-N
XLogP4.92
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38956788
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
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
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4832965
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 29428114) is N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is LYTBKTXPSKSMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-26(2)20(28)13-6-8-16(9-7-13)25-19(27)18-11-10-17(29-18)14-4-3-5-15(12-14)21(22,23)24/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 29428114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).