4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide

C23H22ClN3O2 — CID 4640199

IUPAC4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H22ClN3O2/c1-17-16-18(24)9-14-22(17)29-15-5-8-23(28)25-19-10-12-21(13-11-19)27-26-20-6-3-2-4-7-20/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,25,28)/b27-26+
InChIKeyUSALMNSEFWYJNF-CYYJNZCTSA-N
MW407.90 g/mol
LogP6.86
Rot. Bonds8

About 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide (PubChem CID 4640199) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
PubChem CID4640199
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H22ClN3O2/c1-17-16-18(24)9-14-22(17)29-15-5-8-23(28)25-19-10-12-21(13-11-19)27-26-20-6-3-2-4-7-20/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,25,28)/b27-26+
InChIKeyUSALMNSEFWYJNF-CYYJNZCTSA-N
XLogP6.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
CID 55637724
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725
4-(4-chloro-2-methylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]butanamide
CID 4613145
4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 26580576
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide (CID 4640199) is 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide?
The InChIKey is USALMNSEFWYJNF-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-17-16-18(24)9-14-22(17)29-15-5-8-23(28)25-19-10-12-21(13-11-19)27-26-20-6-3-2-4-7-20/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,25,28)/b27-26+.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide has a molecular weight of 407.90 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide is sourced from PubChem (CID 4640199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).