2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide

C26H24IN5O3 — CID 139224842

IUPAC2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1N=[N+]=[N-])N(C(=O)C(=O)c1ccccc1)c1ccccc1I
InChIInChI=1S/C26H24IN5O3/c1-26(2,3)29-24(34)22(18-13-7-9-15-20(18)30-31-28)32(21-16-10-8-14-19(21)27)25(35)23(33)17-11-5-4-6-12-17/h4-16,22H,1-3H3,(H,29,34)
InChIKeyFNJLAVCMGAHUAY-UHFFFAOYSA-N
MW581.41 g/mol
LogP6.10
Rot. Bonds7

About 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide

2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide (PubChem CID 139224842) has the molecular formula C26H24IN5O3 and a molecular weight of 581.41 g/mol. Its IUPAC name is 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide.

Molecular Properties

Compound Name2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide
PubChem CID139224842
Molecular FormulaC26H24IN5O3
Molecular Weight581.41 g/mol
Exact Mass581.09
IUPAC Name2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1N=[N+]=[N-])N(C(=O)C(=O)c1ccccc1)c1ccccc1I
InChIInChI=1S/C26H24IN5O3/c1-26(2,3)29-24(34)22(18-13-7-9-15-20(18)30-31-28)32(21-16-10-8-14-19(21)27)25(35)23(33)17-11-5-4-6-12-17/h4-16,22H,1-3H3,(H,29,34)
InChIKeyFNJLAVCMGAHUAY-UHFFFAOYSA-N
XLogP6.10
TPSA115.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.41
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide?
The IUPAC name of 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide (CID 139224842) is 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide.
What is the SMILES notation for 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide?
The canonical SMILES for 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide is CC(C)(C)NC(=O)C(c1ccccc1N=[N+]=[N-])N(C(=O)C(=O)c1ccccc1)c1ccccc1I.
What is the InChIKey of 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide?
The InChIKey is FNJLAVCMGAHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24IN5O3/c1-26(2,3)29-24(34)22(18-13-7-9-15-20(18)30-31-28)32(21-16-10-8-14-19(21)27)25(35)23(33)17-11-5-4-6-12-17/h4-16,22H,1-3H3,(H,29,34).
What are the key properties of 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide?
2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide has a molecular weight of 581.41 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidophenyl)-N-tert-butyl-2-(2-iodo-N-(2-oxo-2-phenylacetyl)anilino)acetamide is sourced from PubChem (CID 139224842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).