N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide

C14H12ClNO4 — CID 107722765

IUPACN-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C14H12ClNO4/c1-20-9-3-4-11(15)12(7-9)16-14(19)10-6-8(17)2-5-13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeySNJVPPCICXLTAU-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.01
Rot. Bonds3

About N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide

N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide (PubChem CID 107722765) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
PubChem CID107722765
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C14H12ClNO4/c1-20-9-3-4-11(15)12(7-9)16-14(19)10-6-8(17)2-5-13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeySNJVPPCICXLTAU-UHFFFAOYSA-N
XLogP3.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.01
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

N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
N-(5-amino-2-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 43548769
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
N-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydroxybenzamide
CID 103891512
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
N-(2-chloro-6-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 66255339
4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
CID 78987859
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55143825

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide (CID 107722765) is N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide is COc1ccc(Cl)c(NC(=O)c2cc(O)ccc2O)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide?
The InChIKey is SNJVPPCICXLTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-20-9-3-4-11(15)12(7-9)16-14(19)10-6-8(17)2-5-13(10)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide?
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide has a molecular weight of 293.71 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107722765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).