N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H15ClF3NO4 — CID 18225514

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC
InChIInChI=1S/C20H15ClF3NO4/c1-27-17-9-13(21)14(10-18(17)28-2)25-19(26)16-7-6-15(29-16)11-4-3-5-12(8-11)20(22,23)24/h3-10H,1-2H3,(H,25,26)
InChIKeyJQSMVCLLHKJLCQ-UHFFFAOYSA-N
MW425.79 g/mol
LogP5.89
Rot. Bonds5

About N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 18225514) has the molecular formula C20H15ClF3NO4 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID18225514
Molecular FormulaC20H15ClF3NO4
Molecular Weight425.79 g/mol
Exact Mass425.06
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC
InChIInChI=1S/C20H15ClF3NO4/c1-27-17-9-13(21)14(10-18(17)28-2)25-19(26)16-7-6-15(29-16)11-4-3-5-12(8-11)20(22,23)24/h3-10H,1-2H3,(H,25,26)
InChIKeyJQSMVCLLHKJLCQ-UHFFFAOYSA-N
XLogP5.89
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.79
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38956788
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871805
N-(2-chloro-4,5-dimethoxyphenyl)-5-methylfuran-2-carboxamide
CID 18139943
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 50882495
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4832965
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 18225514) is N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is COc1cc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is JQSMVCLLHKJLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO4/c1-27-17-9-13(21)14(10-18(17)28-2)25-19(26)16-7-6-15(29-16)11-4-3-5-12(8-11)20(22,23)24/h3-10H,1-2H3,(H,25,26).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 425.79 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 18225514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).