3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide

C19H21ClN2O3 — CID 7918329

IUPAC3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-12(2)14-8-7-13(3)17(10-14)25-11-18(23)21-22-19(24)15-5-4-6-16(20)9-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLIPIHNOKOGMJTM-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.61
Rot. Bonds5

About 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide

3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide (PubChem CID 7918329) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide
PubChem CID7918329
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-12(2)14-8-7-13(3)17(10-14)25-11-18(23)21-22-19(24)15-5-4-6-16(20)9-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLIPIHNOKOGMJTM-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.61
H-Bond Donors ≤ 52
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-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
3-bromo-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 54790816
3-chloro-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]benzohydrazide
CID 4504590
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957534
3-butan-2-yloxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 17149889
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957576
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide (CID 7918329) is 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide is Cc1ccc(C(C)C)cc1OCC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide?
The InChIKey is LIPIHNOKOGMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12(2)14-8-7-13(3)17(10-14)25-11-18(23)21-22-19(24)15-5-4-6-16(20)9-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide?
3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide has a molecular weight of 360.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7918329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).