N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide

C18H19ClN2O3 — CID 8621672

IUPACN'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
SMILESCC(C)OCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)24-11-13-3-5-14(6-4-13)17(22)20-21-18(23)15-7-9-16(19)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJKGVXWGLBFMLHJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.34
Rot. Bonds5

About N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide

N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide (PubChem CID 8621672) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
PubChem CID8621672
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
SMILESCC(C)OCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(2)24-11-13-3-5-14(6-4-13)17(22)20-21-18(23)15-7-9-16(19)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJKGVXWGLBFMLHJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985692
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
CID 8623835
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8877793
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-4-ethylbenzohydrazide
CID 7601369
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide (CID 8621672) is N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide is CC(C)OCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide?
The InChIKey is JKGVXWGLBFMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(2)24-11-13-3-5-14(6-4-13)17(22)20-21-18(23)15-7-9-16(19)10-8-15/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide?
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide is sourced from PubChem (CID 8621672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).