2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide

C22H19N3O — CID 631039

IUPAC2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1c1ccccc1
InChIInChI=1S/C22H19N3O/c26-22(21-15-20(21)16-7-3-1-4-8-16)23-17-11-13-19(14-12-17)25-24-18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,23,26)/b25-24+
InChIKeyVMLMKHHSRPPXDN-OCOZRVBESA-N
MW341.41 g/mol
LogP5.84
Rot. Bonds5

About 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide

2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide (PubChem CID 631039) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
PubChem CID631039
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1c1ccccc1
InChIInChI=1S/C22H19N3O/c26-22(21-15-20(21)16-7-3-1-4-8-16)23-17-11-13-19(14-12-17)25-24-18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,23,26)/b25-24+
InChIKeyVMLMKHHSRPPXDN-OCOZRVBESA-N
XLogP5.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.84
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

cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
N-(4-acetylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 4205798
cis-(1R,2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 11902701
N-(3-hydroxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 81445768
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylcyclopropane-1-carboxamide
CID 81485516
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307
trans-(1R,2R)-N-[4-(3-methylpyrazol-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 35533273
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide (CID 631039) is 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VMLMKHHSRPPXDN-OCOZRVBESA-N. The full InChI is InChI=1S/C22H19N3O/c26-22(21-15-20(21)16-7-3-1-4-8-16)23-17-11-13-19(14-12-17)25-24-18-9-5-2-6-10-18/h1-14,20-21H,15H2,(H,23,26)/b25-24+.
What are the key properties of 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 631039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).