N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide

C17H18N2O3 — CID 7535148

IUPACN'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide
SMILESCc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-7-8-13(9-12(11)2)10-16(21)18-19-17(22)14-5-3-4-6-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLJLHGRLJQQSDQC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.01
Rot. Bonds3

About N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide

N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide (PubChem CID 7535148) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide
PubChem CID7535148
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide
SMILESCc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-7-8-13(9-12(11)2)10-16(21)18-19-17(22)14-5-3-4-6-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyLJLHGRLJQQSDQC-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide (CID 7535148) is N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide is Cc1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1C.
What is the InChIKey of N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide?
The InChIKey is LJLHGRLJQQSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-7-8-13(9-12(11)2)10-16(21)18-19-17(22)14-5-3-4-6-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide?
N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenyl)acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 7535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).