2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide

C19H18Cl2N2O4 — CID 7910651

IUPAC2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4/c1-2-27-14-6-3-12(4-7-14)17(24)9-10-18(25)22-23-19(26)15-11-13(20)5-8-16(15)21/h3-8,11H,2,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyZAWOMBNCOPEJHB-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.82
Rot. Bonds7

About 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide

2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide (PubChem CID 7910651) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
PubChem CID7910651
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O4/c1-2-27-14-6-3-12(4-7-14)17(24)9-10-18(25)22-23-19(26)15-11-13(20)5-8-16(15)21/h3-8,11H,2,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyZAWOMBNCOPEJHB-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.82
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

5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-ethoxybenzoate
CID 7751673
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 29281321
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide (CID 7910651) is 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide is CCOc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide?
The InChIKey is ZAWOMBNCOPEJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-2-27-14-6-3-12(4-7-14)17(24)9-10-18(25)22-23-19(26)15-11-13(20)5-8-16(15)21/h3-8,11H,2,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide?
2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide has a molecular weight of 409.27 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide is sourced from PubChem (CID 7910651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).