N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide

C29H26Cl2N2O6 — CID 86605166

IUPACN-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)cc2Cl)cc1.COc1ccc(C(=O)Nc2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C15H14ClNO3.C14H12ClNO3/c1-19-11-5-3-10(4-6-11)15(18)17-14-8-7-12(20-2)9-13(14)16;1-19-11-5-2-9(3-6-11)14(18)16-13-7-4-10(17)8-12(13)15/h3-9H,1-2H3,(H,17,18);2-8,17H,1H3,(H,16,18)
InChIKeyPWYCCMSXHRGIIV-UHFFFAOYSA-N
MW569.44 g/mol
LogP6.92
Rot. Bonds7

About N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide

N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide (PubChem CID 86605166) has the molecular formula C29H26Cl2N2O6 and a molecular weight of 569.44 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
PubChem CID86605166
Molecular FormulaC29H26Cl2N2O6
Molecular Weight569.44 g/mol
Exact Mass568.12
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(O)cc2Cl)cc1.COc1ccc(C(=O)Nc2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C15H14ClNO3.C14H12ClNO3/c1-19-11-5-3-10(4-6-11)15(18)17-14-8-7-12(20-2)9-13(14)16;1-19-11-5-2-9(3-6-11)14(18)16-13-7-4-10(17)8-12(13)15/h3-9H,1-2H3,(H,17,18);2-8,17H,1H3,(H,16,18)
InChIKeyPWYCCMSXHRGIIV-UHFFFAOYSA-N
XLogP6.92
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.44
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide 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

N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
N-(4-carbamothioyl-2-chlorophenyl)-4-methoxybenzamide
CID 107808544
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
4-bromo-N-(2-chloro-4-methoxyphenyl)-3,5-dimethoxybenzamide
CID 60597741
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
4-amino-3,5-dichloro-N-(2-hydroxy-4-methoxyphenyl)benzamide
CID 102695314
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide (CID 86605166) is N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(O)cc2Cl)cc1.COc1ccc(C(=O)Nc2ccc(OC)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide?
The InChIKey is PWYCCMSXHRGIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3.C14H12ClNO3/c1-19-11-5-3-10(4-6-11)15(18)17-14-8-7-12(20-2)9-13(14)16;1-19-11-5-2-9(3-6-11)14(18)16-13-7-4-10(17)8-12(13)15/h3-9H,1-2H3,(H,17,18);2-8,17H,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide?
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide has a molecular weight of 569.44 g/mol, XLogP of 6.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 86605166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).