N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide

C18H17Cl2N3O2 — CID 4306976

IUPACN-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H17Cl2N3O2/c1-12(22-23-18(25)10-13-5-3-2-4-6-13)9-17(24)21-16-8-7-14(19)11-15(16)20/h2-8,11H,9-10H2,1H3,(H,21,24)(H,23,25)
InChIKeyMGPOIBFCOCEUKT-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.06
Rot. Bonds6

About N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide

N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide (PubChem CID 4306976) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
PubChem CID4306976
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)Cc1ccccc1
InChIInChI=1S/C18H17Cl2N3O2/c1-12(22-23-18(25)10-13-5-3-2-4-6-13)9-17(24)21-16-8-7-14(19)11-15(16)20/h2-8,11H,9-10H2,1H3,(H,21,24)(H,23,25)
InChIKeyMGPOIBFCOCEUKT-UHFFFAOYSA-N
XLogP4.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.06
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-(2,4-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3919740
(3Z)-N-(2,5-dichlorophenyl)-3-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 6016537
4-acetamido-N-[(E)-[4-(2,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 43834230
(3Z)-N-[(4-chlorophenyl)methyl]-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6369433
(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 46501151
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978918
3-chloro-N-[(E)-[4-(2,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 16760917
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 5344897
N-(2,4-dichlorophenyl)propanamide
CID 923083

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide (CID 4306976) is N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide is CC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)Cc1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
The InChIKey is MGPOIBFCOCEUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-12(22-23-18(25)10-13-5-3-2-4-6-13)9-17(24)21-16-8-7-14(19)11-15(16)20/h2-8,11H,9-10H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide?
N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide has a molecular weight of 378.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 4306976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).