2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide

C19H21ClN2O3 — CID 4927887

IUPAC2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(23)21-22-19(24)16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPZAATBJPAHOMKI-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.84
Rot. Bonds6

About 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide

2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide (PubChem CID 4927887) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
PubChem CID4927887
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(23)21-22-19(24)16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPZAATBJPAHOMKI-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.84
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]amino]carbamothioyl]benzamide
CID 4928170
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide (CID 4927887) is 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
The InChIKey is PZAATBJPAHOMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(23)21-22-19(24)16-5-3-4-6-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide?
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide has a molecular weight of 360.84 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4927887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).