N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide

C14H12ClNO3 — CID 103957548

IUPACN-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(O)c(O)c2)c1
InChIInChI=1S/C14H12ClNO3/c1-8-2-4-10(15)11(6-8)16-14(19)9-3-5-12(17)13(18)7-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyPCIZSINSWKWWFD-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.31
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide

N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide (PubChem CID 103957548) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
PubChem CID103957548
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC NameN-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(O)c(O)c2)c1
InChIInChI=1S/C14H12ClNO3/c1-8-2-4-10(15)11(6-8)16-14(19)9-3-5-12(17)13(18)7-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyPCIZSINSWKWWFD-UHFFFAOYSA-N
XLogP3.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637344
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide (CID 103957548) is N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(O)c(O)c2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide?
The InChIKey is PCIZSINSWKWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-2-4-10(15)11(6-8)16-14(19)9-3-5-12(17)13(18)7-9/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide?
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide has a molecular weight of 277.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103957548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).