1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide

C18H16N4O2 — CID 610745

IUPAC1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1C=CCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c19-17(23)16-7-4-12-22(16)18(24)13-8-10-15(11-9-13)21-20-14-5-2-1-3-6-14/h1-11,16H,12H2,(H2,19,23)/b21-20+
InChIKeyUKVZOHPIPKSIDD-QZQOTICOSA-N
MW320.35 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide

1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 610745) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID610745
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide
SMILESNC(=O)C1C=CCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C18H16N4O2/c19-17(23)16-7-4-12-22(16)18(24)13-8-10-15(11-9-13)21-20-14-5-2-1-3-6-14/h1-11,16H,12H2,(H2,19,23)/b21-20+
InChIKeyUKVZOHPIPKSIDD-QZQOTICOSA-N
XLogP2.97
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(aminomethyl)-2,5-dihydropyrrol-1-yl]-phenylmethanone
CID 68890298
2-[(1-benzoyl-2,5-dihydropyrrole-2-carbonyl)amino]acetic acid
CID 570963
diphenyldiazene;urea
CID 175083568
4-phenyldiazenylbenzoic acid
CID 15276
methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
CID 610761
ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
amino-[(1-benzoyl-2,5-dihydropyrrol-2-yl)methyl]carbamic acid
CID 174487355
prop-2-enyl N-amino-N-[(1-benzoyl-2,5-dihydropyrrol-2-yl)methyl]carbamate
CID 68887239
[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate
CID 92536781
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
2-phenyldiazenylbenzamide
CID 3752866

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide (CID 610745) is 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide is NC(=O)C1C=CCN1C(=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is UKVZOHPIPKSIDD-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-17(23)16-7-4-12-22(16)18(24)13-8-10-15(11-9-13)21-20-14-5-2-1-3-6-14/h1-11,16H,12H2,(H2,19,23)/b21-20+.
What are the key properties of 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide?
1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyldiazenylbenzoyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 610745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).