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

C19H11Cl3F3NO3 — CID 126211190

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H11Cl3F3NO3/c20-10-1-5-16(15(22)7-10)28-9-12-3-6-17(29-12)18(27)26-11-2-4-14(21)13(8-11)19(23,24)25/h1-8H,9H2,(H,26,27)
InChIKeyMPZLTKHFJBOPJN-UHFFFAOYSA-N
MW464.65 g/mol
LogP7.09
Rot. Bonds5

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 126211190) has the molecular formula C19H11Cl3F3NO3 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
PubChem CID126211190
Molecular FormulaC19H11Cl3F3NO3
Molecular Weight464.65 g/mol
Exact Mass462.98
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H11Cl3F3NO3/c20-10-1-5-16(15(22)7-10)28-9-12-3-6-17(29-12)18(27)26-11-2-4-14(21)13(8-11)19(23,24)25/h1-8H,9H2,(H,26,27)
InChIKeyMPZLTKHFJBOPJN-UHFFFAOYSA-N
XLogP7.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide (CID 126211190) is N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is MPZLTKHFJBOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F3NO3/c20-10-1-5-16(15(22)7-10)28-9-12-3-6-17(29-12)18(27)26-11-2-4-14(21)13(8-11)19(23,24)25/h1-8H,9H2,(H,26,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 126211190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).