4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide

C19H20ClN3O4 — CID 4545792

IUPAC4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O4/c1-2-27-14-9-7-13(8-10-14)21-17(24)11-12-18(25)22-23-19(26)15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCKGZPXFIWHSNGU-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.92
Rot. Bonds7

About 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide

4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 4545792) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID4545792
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClN3O4/c1-2-27-14-9-7-13(8-10-14)21-17(24)11-12-18(25)22-23-19(26)15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCKGZPXFIWHSNGU-UHFFFAOYSA-N
XLogP2.92
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.92
H-Bond Donors ≤ 53
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-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4945641
N-(4-ethoxyphenyl)-4-[2-(2-hexoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4942291
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
methyl 4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutanoate
CID 4511035
N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide
CID 5118299
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide (CID 4545792) is 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is CKGZPXFIWHSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-2-27-14-9-7-13(8-10-14)21-17(24)11-12-18(25)22-23-19(26)15-5-3-4-6-16(15)20/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 389.84 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 4545792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).