N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide

C25H24ClN3O3 — CID 3434978

IUPACN-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O3/c1-17-20(26)13-8-14-21(17)27-22(30)15-16-23(31)28-29-25(32)24(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,24H,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyNKKXUCMJFDUDIC-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.35
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide

N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3434978) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
PubChem CID3434978
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
SMILESCc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O3/c1-17-20(26)13-8-14-21(17)27-22(30)15-16-23(31)28-29-25(32)24(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,24H,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyNKKXUCMJFDUDIC-UHFFFAOYSA-N
XLogP4.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.35
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-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 5120284
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-4-oxo-4-[2-[2-(4-phenylphenoxy)acetyl]hydrazinyl]butanamide
CID 4512967
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
4-[2-(4-chlorobenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3511916
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
CID 124750843
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
CID 112806311

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide (CID 3434978) is N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide is Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is NKKXUCMJFDUDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-17-20(26)13-8-14-21(17)27-22(30)15-16-23(31)28-29-25(32)24(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,24H,15-16H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide?
N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 449.94 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).