N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide

C15H14ClNO4 — CID 103891512

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H14ClNO4/c1-8-5-12(14(21-2)7-11(8)16)17-15(20)10-6-9(18)3-4-13(10)19/h3-7,18-19H,1-2H3,(H,17,20)
InChIKeyOIPIZDWUTOXWFR-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.32
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide (PubChem CID 103891512) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
PubChem CID103891512
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C15H14ClNO4/c1-8-5-12(14(21-2)7-11(8)16)17-15(20)10-6-9(18)3-4-13(10)19/h3-7,18-19H,1-2H3,(H,17,20)
InChIKeyOIPIZDWUTOXWFR-UHFFFAOYSA-N
XLogP3.32
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 90477654
CID 90477654
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4,5-trimethoxybenzamide
CID 1190293

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide (CID 103891512) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide?
The InChIKey is OIPIZDWUTOXWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-8-5-12(14(21-2)7-11(8)16)17-15(20)10-6-9(18)3-4-13(10)19/h3-7,18-19H,1-2H3,(H,17,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide has a molecular weight of 307.73 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 103891512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).