2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide

C14H11Cl2N3O — CID 5180654

IUPAC2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)Cl
InChIInChI=1S/C14H11Cl2N3O/c15-13(16)14(20)17-10-6-8-12(9-7-10)19-18-11-4-2-1-3-5-11/h1-9,13H,(H,17,20)/b19-18+
InChIKeyQXEZXKFWSPGKRZ-VHEBQXMUSA-N
MW308.17 g/mol
LogP4.84
Rot. Bonds4

About 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide

2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 5180654) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID5180654
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)Cl
InChIInChI=1S/C14H11Cl2N3O/c15-13(16)14(20)17-10-6-8-12(9-7-10)19-18-11-4-2-1-3-5-11/h1-9,13H,(H,17,20)/b19-18+
InChIKeyQXEZXKFWSPGKRZ-VHEBQXMUSA-N
XLogP4.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
(2R,3R)-2,3-bis[(4-chlorobenzoyl)oxy]-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 126383497
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380
(2R,3S)-2,3-bis[(4-methylbenzoyl)oxy]-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 126382184
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide (CID 5180654) is 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is QXEZXKFWSPGKRZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-13(16)14(20)17-10-6-8-12(9-7-10)19-18-11-4-2-1-3-5-11/h1-9,13H,(H,17,20)/b19-18+.
What are the key properties of 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide?
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 308.17 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 5180654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).