3,5-diamino-N-(3-iodophenyl)benzamide

C13H12IN3O — CID 61095528

IUPAC3,5-diamino-N-(3-iodophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C13H12IN3O/c14-9-2-1-3-12(6-9)17-13(18)8-4-10(15)7-11(16)5-8/h1-7H,15-16H2,(H,17,18)
InChIKeyBEZPPJZSJQZTLB-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.71
Rot. Bonds2

About 3,5-diamino-N-(3-iodophenyl)benzamide

3,5-diamino-N-(3-iodophenyl)benzamide (PubChem CID 61095528) has the molecular formula C13H12IN3O and a molecular weight of 353.16 g/mol. Its IUPAC name is 3,5-diamino-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-iodophenyl)benzamide
PubChem CID61095528
Molecular FormulaC13H12IN3O
Molecular Weight353.16 g/mol
Exact Mass353.00
IUPAC Name3,5-diamino-N-(3-iodophenyl)benzamide
SMILESNc1cc(N)cc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C13H12IN3O/c14-9-2-1-3-12(6-9)17-13(18)8-4-10(15)7-11(16)5-8/h1-7H,15-16H2,(H,17,18)
InChIKeyBEZPPJZSJQZTLB-UHFFFAOYSA-N
XLogP2.71
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
5-benzamido-1-N,3-N-bis(3-iodophenyl)benzene-1,3-dicarboxamide
CID 3501081
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
2,4-diamino-N-(3-iodophenyl)benzamide
CID 61095527
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
N-(3-iodophenyl)-1H-pyrrole-2-carboxamide
CID 51210999
N-(4-amino-3-bromophenyl)-3-iodobenzamide
CID 82861642
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
4-bromo-3-hydroxy-N-(3-iodophenyl)benzamide
CID 113342592
4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide
CID 28881842
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-iodophenyl)benzamide?
The IUPAC name of 3,5-diamino-N-(3-iodophenyl)benzamide (CID 61095528) is 3,5-diamino-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(3-iodophenyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(3-iodophenyl)benzamide is Nc1cc(N)cc(C(=O)Nc2cccc(I)c2)c1.
What is the InChIKey of 3,5-diamino-N-(3-iodophenyl)benzamide?
The InChIKey is BEZPPJZSJQZTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O/c14-9-2-1-3-12(6-9)17-13(18)8-4-10(15)7-11(16)5-8/h1-7H,15-16H2,(H,17,18).
What are the key properties of 3,5-diamino-N-(3-iodophenyl)benzamide?
3,5-diamino-N-(3-iodophenyl)benzamide has a molecular weight of 353.16 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 61095528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).