2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide

C28H23N3O — CID 6611307

IUPAC2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O/c32-27(29-23-16-18-25(19-17-23)31-30-24-14-8-3-9-15-24)26-20-28(26,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19,26H,20H2,(H,29,32)/b31-30+
InChIKeyOOOVGVTVOBELIC-NVQSTNCTSA-N
MW417.51 g/mol
LogP7.05
Rot. Bonds6

About 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide

2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide (PubChem CID 6611307) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
PubChem CID6611307
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O/c32-27(29-23-16-18-25(19-17-23)31-30-24-14-8-3-9-15-24)26-20-28(26,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19,26H,20H2,(H,29,32)/b31-30+
InChIKeyOOOVGVTVOBELIC-NVQSTNCTSA-N
XLogP7.05
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 57.05
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

(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1R)-N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 7039734
N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 3098363
2-phenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 631039
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
(1S)-N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129440795

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide (CID 6611307) is 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OOOVGVTVOBELIC-NVQSTNCTSA-N. The full InChI is InChI=1S/C28H23N3O/c32-27(29-23-16-18-25(19-17-23)31-30-24-14-8-3-9-15-24)26-20-28(26,21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-19,26H,20H2,(H,29,32)/b31-30+.
What are the key properties of 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide?
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 6611307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).