3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide

C21H25ClN2O4 — CID 9276291

IUPAC3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-5-9-28-19-17(22)11-15(12-18(19)27-6-2)20(25)23-24-21(26)16-8-7-13(3)10-14(16)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVRSMCIUICLENTO-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.22
Rot. Bonds7

About 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide

3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide (PubChem CID 9276291) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
PubChem CID9276291
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-5-9-28-19-17(22)11-15(12-18(19)27-6-2)20(25)23-24-21(26)16-8-7-13(3)10-14(16)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVRSMCIUICLENTO-UHFFFAOYSA-N
XLogP4.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476532
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
methyl 2-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]-2-methylpropanoate
CID 30875825
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-2,4-dimethylbenzohydrazide
CID 9276247
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide?
The IUPAC name of 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide (CID 9276291) is 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide?
The canonical SMILES for 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide is CCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(C)cc2C)cc1OCC.
What is the InChIKey of 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide?
The InChIKey is VRSMCIUICLENTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-5-9-28-19-17(22)11-15(12-18(19)27-6-2)20(25)23-24-21(26)16-8-7-13(3)10-14(16)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide?
3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide has a molecular weight of 404.89 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 9276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).