N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide

C24H22ClN3O3 — CID 5120284

IUPACN-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22ClN3O3/c25-19-13-7-8-14-20(19)26-21(29)15-16-22(30)27-28-24(31)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23H,15-16H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyAZDZUZNBMODSEI-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.04
Rot. Bonds7

About N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide

N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide (PubChem CID 5120284) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
PubChem CID5120284
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22ClN3O3/c25-19-13-7-8-14-20(19)26-21(29)15-16-22(30)27-28-24(31)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23H,15-16H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyAZDZUZNBMODSEI-UHFFFAOYSA-N
XLogP4.04
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 3434978
1-N',6-N'-bis(2,2-diphenylacetyl)hexanedihydrazide
CID 3770806
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
N-(2-chlorophenyl)-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513816
N-(2-chlorophenyl)-4-oxo-4-[2-[(2-phenylacetyl)carbamothioyl]hydrazinyl]butanamide
CID 4505087
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide (CID 5120284) is N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is AZDZUZNBMODSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c25-19-13-7-8-14-20(19)26-21(29)15-16-22(30)27-28-24(31)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,23H,15-16H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 435.91 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 5120284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).