5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide

C43H35Cl3N4O7 — CID 158708901

IUPAC5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.N#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO2.C14H9ClN2O2.C14H12ClNO3/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;15-10-4-5-13(18)12(7-10)14(19)17-11-3-1-2-9(6-11)8-16;1-19-11-4-2-3-10(8-11)16-14(18)12-7-9(15)5-6-13(12)17/h3-9,18H,2H2,1H3,(H,17,19);1-7,18H,(H,17,19);2-8,17H,1H3,(H,16,18)
InChIKeyIILWYYUWXRFJSJ-UHFFFAOYSA-N
MW826.13 g/mol
LogP10.34
Rot. Bonds8

About 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide

5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide (PubChem CID 158708901) has the molecular formula C43H35Cl3N4O7 and a molecular weight of 826.13 g/mol. Its IUPAC name is 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide
PubChem CID158708901
Molecular FormulaC43H35Cl3N4O7
Molecular Weight826.13 g/mol
Exact Mass824.16
IUPAC Name5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.N#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO2.C14H9ClN2O2.C14H12ClNO3/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;15-10-4-5-13(18)12(7-10)14(19)17-11-3-1-2-9(6-11)8-16;1-19-11-4-2-3-10(8-11)16-14(18)12-7-9(15)5-6-13(12)17/h3-9,18H,2H2,1H3,(H,17,19);1-7,18H,(H,17,19);2-8,17H,1H3,(H,16,18)
InChIKeyIILWYYUWXRFJSJ-UHFFFAOYSA-N
XLogP10.34
TPSA181.01 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500826.13
LogP ≤ 510.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide 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

5-chloro-N-(3-ethoxyphenyl)-2-hydroxy-benzamide
CID 47311629
5-chloro-2-hydroxy-N-(3-isopropoxyphenyl)benzamide
CID 70853824
5-chloro-2-hydroxy-N-(3-phenoxyphenyl)benzamide
CID 71459064
5-chloro-2-hydroxy-N-(3-methoxy-5-methyl-phenyl)benzamide
CID 71462579
5-chloro-N-(2-chloro-5-methoxyphenyl)-2-hydroxybenzamide
CID 61635837
5-chloro-2-hydroxy-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 71381237
5-Chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide
CID 18104278
5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide
CID 5055356
5-Chloro-N-{3-[2-(3-fluorophenyl)ethoxy]phenyl}-2-hydroxybenzamide
CID 57721533
Benzamide,5-chloro-4-fluoro-2-hydroxy-n-[3-[2-(2-methoxyphenyl)ethoxy]phenyl]-
CID 57721637
N-[2,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide;5-chloro-N-(3-chloro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-N-(3,5-dimethylphenyl)-2-hydroxybenzamide;5-chloro-N-(3-fluoro-5-methylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide;5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603990
5-chloro-N-[4-[3-cyano-6-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]phenyl]-2-methoxybenzamide
CID 23635659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide (CID 158708901) is 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide is CCc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.N#Cc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is IILWYYUWXRFJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2.C14H9ClN2O2.C14H12ClNO3/c1-2-10-4-3-5-12(8-10)17-15(19)13-9-11(16)6-7-14(13)18;15-10-4-5-13(18)12(7-10)14(19)17-11-3-1-2-9(6-11)8-16;1-19-11-4-2-3-10(8-11)16-14(18)12-7-9(15)5-6-13(12)17/h3-9,18H,2H2,1H3,(H,17,19);1-7,18H,(H,17,19);2-8,17H,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide?
5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide has a molecular weight of 826.13 g/mol, XLogP of 10.34, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyanophenyl)-2-hydroxybenzamide;5-chloro-N-(3-ethylphenyl)-2-hydroxybenzamide;5-chloro-2-hydroxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 158708901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).