N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide

C23H22ClN3O3 — CID 4665636

IUPACN-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H22ClN3O3/c1-15(12-22(28)25-21-9-5-8-20(24)16(21)2)26-27-23(29)14-30-19-11-10-17-6-3-4-7-18(17)13-19/h3-11,13H,12,14H2,1-2H3,(H,25,28)(H,27,29)
InChIKeySWNOGOKELGIVLF-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.70
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide

N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide (PubChem CID 4665636) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
PubChem CID4665636
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H22ClN3O3/c1-15(12-22(28)25-21-9-5-8-20(24)16(21)2)26-27-23(29)14-30-19-11-10-17-6-3-4-7-18(17)13-19/h3-11,13H,12,14H2,1-2H3,(H,25,28)(H,27,29)
InChIKeySWNOGOKELGIVLF-UHFFFAOYSA-N
XLogP4.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
N-(2-chloro-5-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 112811882
(3Z)-N-(3-chloro-2-methylphenyl)-3-(2-methylpropanoylhydrazinylidene)butanamide
CID 7224772
N-(3-chloro-2-fluorophenyl)-2-naphthalen-2-yloxyacetamide
CID 26309229
(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 46501151
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065
2-(3-acetamidophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 964555
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 679560
ethyl N-[2-methyl-3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]carbamate
CID 87043151
N-[[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-2-iodobenzamide
CID 3403984
N-(3-chloro-2-methylphenyl)-N'-[(Z)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 126458051

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide (CID 4665636) is N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide is CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide?
The InChIKey is SWNOGOKELGIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-15(12-22(28)25-21-9-5-8-20(24)16(21)2)26-27-23(29)14-30-19-11-10-17-6-3-4-7-18(17)13-19/h3-11,13H,12,14H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide?
N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide has a molecular weight of 423.90 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 4665636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).