N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide

C24H22BrN3O2 — CID 3129952

IUPACN-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccccc1Br)=NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22BrN3O2/c1-17(16-22(29)26-21-15-9-8-14-20(21)25)27-28-24(30)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,26,29)(H,28,30)
InChIKeyNHTWZIAZXCYZIV-UHFFFAOYSA-N
MW464.36 g/mol
LogP5.10
Rot. Bonds7

About N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide

N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide (PubChem CID 3129952) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide
PubChem CID3129952
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC NameN-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccccc1Br)=NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22BrN3O2/c1-17(16-22(29)26-21-15-9-8-14-20(21)25)27-28-24(30)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,26,29)(H,28,30)
InChIKeyNHTWZIAZXCYZIV-UHFFFAOYSA-N
XLogP5.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyethyl)oxamide
CID 46501572
ethyl 3-[(2,2-diphenylacetyl)hydrazinylidene]butanoate
CID 5235371
N-(2-bromophenyl)-N'-[(Z)-3-methylbutan-2-ylideneamino]propanediamide
CID 92652581
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
N'-[[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methoxyphenyl)oxamide
CID 3682603
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2R)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 7270870
(3Z)-N-(4-chloro-2-methylphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 7270871
N-(2-bromophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110425843
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide (CID 3129952) is N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide is CC(CC(=O)Nc1ccccc1Br)=NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide?
The InChIKey is NHTWZIAZXCYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c1-17(16-22(29)26-21-15-9-8-14-20(21)25)27-28-24(30)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16H2,1H3,(H,26,29)(H,28,30).
What are the key properties of N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide?
N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide has a molecular weight of 464.36 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[(2,2-diphenylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 3129952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).