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

C21H16ClF3N2O3 — CID 38956788

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C21H16ClF3N2O3/c1-27(2)20(29)13-6-7-15(22)16(11-13)26-19(28)18-9-8-17(30-18)12-4-3-5-14(10-12)21(23,24)25/h3-11H,1-2H3,(H,26,28)
InChIKeyFBNAPKBOGYFKBG-UHFFFAOYSA-N
MW436.82 g/mol
LogP5.57
Rot. Bonds4

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

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 38956788) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID38956788
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C21H16ClF3N2O3/c1-27(2)20(29)13-6-7-15(22)16(11-13)26-19(28)18-9-8-17(30-18)12-4-3-5-14(10-12)21(23,24)25/h3-11H,1-2H3,(H,26,28)
InChIKeyFBNAPKBOGYFKBG-UHFFFAOYSA-N
XLogP5.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.82
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4832965
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 50882495
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 38956788) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is FBNAPKBOGYFKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c1-27(2)20(29)13-6-7-15(22)16(11-13)26-19(28)18-9-8-17(30-18)12-4-3-5-14(10-12)21(23,24)25/h3-11H,1-2H3,(H,26,28).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 436.82 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 38956788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).