N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide

C18H19ClN2O3 — CID 9475751

IUPACN'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-3-11-24-16-9-7-13(8-10-16)17(22)20-21-18(23)14-5-4-6-15(19)12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHHXVSPICWFHDRV-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.59
Rot. Bonds6

About N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide

N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide (PubChem CID 9475751) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
PubChem CID9475751
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-2-3-11-24-16-9-7-13(8-10-16)17(22)20-21-18(23)14-5-4-6-15(19)12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHHXVSPICWFHDRV-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-heptoxybenzoyl)-3-methylbenzohydrazide
CID 4950738
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide?
The IUPAC name of N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide (CID 9475751) is N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide.
What is the SMILES notation for N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide?
The canonical SMILES for N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide?
The InChIKey is HHXVSPICWFHDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-3-11-24-16-9-7-13(8-10-16)17(22)20-21-18(23)14-5-4-6-15(19)12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide?
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide is sourced from PubChem (CID 9475751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).