3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide

C50H34F9I2N3O6 — CID 159287112

IUPAC3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C)cc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1.N#Cc1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I.NC(=O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I
InChIInChI=1S/C22H18F3NO3.C14H9F3INO2.C14H7F3INO/c1-12-3-8-19(29-2)17(9-12)20-16(13-4-6-15(27)7-5-13)10-14(22(23,24)25)11-18(20)21(26)28;15-14(16,17)8-5-10(7-1-3-9(20)4-2-7)12(18)11(6-8)13(19)21;15-14(16,17)10-5-9(7-19)13(18)12(6-10)8-1-3-11(20)4-2-8/h3-11,27H,1-2H3,(H2,26,28);1-6,20H,(H2,19,21);1-6,20H
InChIKeyKZQNPSWMPJRSSL-UHFFFAOYSA-N
MW1197.63 g/mol
LogP13.50
Rot. Bonds7

About 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide

3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide (PubChem CID 159287112) has the molecular formula C50H34F9I2N3O6 and a molecular weight of 1197.63 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide
PubChem CID159287112
Molecular FormulaC50H34F9I2N3O6
Molecular Weight1197.63 g/mol
Exact Mass1197.04
IUPAC Name3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C)cc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1.N#Cc1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I.NC(=O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I
InChIInChI=1S/C22H18F3NO3.C14H9F3INO2.C14H7F3INO/c1-12-3-8-19(29-2)17(9-12)20-16(13-4-6-15(27)7-5-13)10-14(22(23,24)25)11-18(20)21(26)28;15-14(16,17)8-5-10(7-1-3-9(20)4-2-7)12(18)11(6-8)13(19)21;15-14(16,17)10-5-9(7-19)13(18)12(6-10)8-1-3-11(20)4-2-8/h3-11,27H,1-2H3,(H2,26,28);1-6,20H,(H2,19,21);1-6,20H
InChIKeyKZQNPSWMPJRSSL-UHFFFAOYSA-N
XLogP13.50
TPSA179.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.63
LogP ≤ 513.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide (CID 159287112) is 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide is COc1ccc(C)cc1-c1c(C(N)=O)cc(C(F)(F)F)cc1-c1ccc(O)cc1.N#Cc1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I.NC(=O)c1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1I.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide?
The InChIKey is KZQNPSWMPJRSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO3.C14H9F3INO2.C14H7F3INO/c1-12-3-8-19(29-2)17(9-12)20-16(13-4-6-15(27)7-5-13)10-14(22(23,24)25)11-18(20)21(26)28;15-14(16,17)8-5-10(7-1-3-9(20)4-2-7)12(18)11(6-8)13(19)21;15-14(16,17)10-5-9(7-19)13(18)12(6-10)8-1-3-11(20)4-2-8/h3-11,27H,1-2H3,(H2,26,28);1-6,20H,(H2,19,21);1-6,20H.
What are the key properties of 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide?
3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide has a molecular weight of 1197.63 g/mol, XLogP of 13.50, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzamide;3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzonitrile;3-(4-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 159287112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).