2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

C18H19ClN2O3 — CID 4930070

IUPAC2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)11-24-14-9-7-13(8-10-14)17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJECJOZAHOVLKSG-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.45
Rot. Bonds5

About 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (PubChem CID 4930070) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
PubChem CID4930070
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)11-24-14-9-7-13(8-10-14)17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJECJOZAHOVLKSG-UHFFFAOYSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.45
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

2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
N'-(4-butan-2-yloxybenzoyl)-4-(2-methylpropoxy)benzohydrazide
CID 17141455
2-chloro-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4928170
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (CID 4930070) is 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
The InChIKey is JECJOZAHOVLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(2)11-24-14-9-7-13(8-10-14)17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4930070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).