4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide

C19H23ClN2O3 — CID 78774711

IUPAC4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
SMILESCCCCOc1c(Cl)cc(C(=O)NNc2ccccc2)cc1OCC
InChIInChI=1S/C19H23ClN2O3/c1-3-5-11-25-18-16(20)12-14(13-17(18)24-4-2)19(23)22-21-15-9-7-6-8-10-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyLFJBBZJHBDIJTR-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.67
Rot. Bonds9

About 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide

4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide (PubChem CID 78774711) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
PubChem CID78774711
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
SMILESCCCCOc1c(Cl)cc(C(=O)NNc2ccccc2)cc1OCC
InChIInChI=1S/C19H23ClN2O3/c1-3-5-11-25-18-16(20)12-14(13-17(18)24-4-2)19(23)22-21-15-9-7-6-8-10-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,22,23)
InChIKeyLFJBBZJHBDIJTR-UHFFFAOYSA-N
XLogP4.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031623
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476532
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide (CID 78774711) is 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide is CCCCOc1c(Cl)cc(C(=O)NNc2ccccc2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide?
The InChIKey is LFJBBZJHBDIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-3-5-11-25-18-16(20)12-14(13-17(18)24-4-2)19(23)22-21-15-9-7-6-8-10-15/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,22,23).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide?
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide has a molecular weight of 362.86 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide is sourced from PubChem (CID 78774711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).