ethane;N-phenyl-4-phenyldiazenylbenzamide

C23H27N3O — CID 159586308

IUPACethane;N-phenyl-4-phenyldiazenylbenzamide
SMILESCC.CC.O=C(Nc1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H15N3O.2C2H6/c23-19(20-16-7-3-1-4-8-16)15-11-13-18(14-12-15)22-21-17-9-5-2-6-10-17;2*1-2/h1-14H,(H,20,23);2*1-2H3/b22-21+;;
InChIKeyMJQSWNDZSVFYAC-ZPZFBZIMSA-N
MW361.49 g/mol
LogP7.41
Rot. Bonds4

About ethane;N-phenyl-4-phenyldiazenylbenzamide

ethane;N-phenyl-4-phenyldiazenylbenzamide (PubChem CID 159586308) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is ethane;N-phenyl-4-phenyldiazenylbenzamide.

Molecular Properties

Compound Nameethane;N-phenyl-4-phenyldiazenylbenzamide
PubChem CID159586308
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Nameethane;N-phenyl-4-phenyldiazenylbenzamide
SMILESCC.CC.O=C(Nc1ccccc1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H15N3O.2C2H6/c23-19(20-16-7-3-1-4-8-16)15-11-13-18(14-12-15)22-21-17-9-5-2-6-10-17;2*1-2/h1-14H,(H,20,23);2*1-2H3/b22-21+;;
InChIKeyMJQSWNDZSVFYAC-ZPZFBZIMSA-N
XLogP7.41
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
4-(phenylcarbamoyl)benzoate
CID 158012761
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
methyl N-phenyl-4-[4-(phenylcarbamoyl)phenyl]benzenecarboximidate
CID 122577817
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
1-N,4-N-bis[4-(N-methyl-N'-phenylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide
CID 135408645
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342

Frequently Asked Questions

What is the IUPAC name of ethane;N-phenyl-4-phenyldiazenylbenzamide?
The IUPAC name of ethane;N-phenyl-4-phenyldiazenylbenzamide (CID 159586308) is ethane;N-phenyl-4-phenyldiazenylbenzamide.
What is the SMILES notation for ethane;N-phenyl-4-phenyldiazenylbenzamide?
The canonical SMILES for ethane;N-phenyl-4-phenyldiazenylbenzamide is CC.CC.O=C(Nc1ccccc1)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of ethane;N-phenyl-4-phenyldiazenylbenzamide?
The InChIKey is MJQSWNDZSVFYAC-ZPZFBZIMSA-N. The full InChI is InChI=1S/C19H15N3O.2C2H6/c23-19(20-16-7-3-1-4-8-16)15-11-13-18(14-12-15)22-21-17-9-5-2-6-10-17;2*1-2/h1-14H,(H,20,23);2*1-2H3/b22-21+;;.
What are the key properties of ethane;N-phenyl-4-phenyldiazenylbenzamide?
ethane;N-phenyl-4-phenyldiazenylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 7.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-phenyl-4-phenyldiazenylbenzamide is sourced from PubChem (CID 159586308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).