2,4-diamino-N-(3-iodophenyl)benzamide

C13H12IN3O — CID 61095527

IUPAC2,4-diamino-N-(3-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cccc(I)c2)c(N)c1
InChIInChI=1S/C13H12IN3O/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,15-16H2,(H,17,18)
InChIKeyBYRUALCGEJEANX-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.71
Rot. Bonds2

About 2,4-diamino-N-(3-iodophenyl)benzamide

2,4-diamino-N-(3-iodophenyl)benzamide (PubChem CID 61095527) has the molecular formula C13H12IN3O and a molecular weight of 353.16 g/mol. Its IUPAC name is 2,4-diamino-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3-iodophenyl)benzamide
PubChem CID61095527
Molecular FormulaC13H12IN3O
Molecular Weight353.16 g/mol
Exact Mass353.00
IUPAC Name2,4-diamino-N-(3-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cccc(I)c2)c(N)c1
InChIInChI=1S/C13H12IN3O/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,15-16H2,(H,17,18)
InChIKeyBYRUALCGEJEANX-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

2,4-diamino-N-(3-ethynylphenyl)benzamide
CID 61117104
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
4-amino-N-(3-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81236350
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768786

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3-iodophenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(3-iodophenyl)benzamide (CID 61095527) is 2,4-diamino-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3-iodophenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3-iodophenyl)benzamide is Nc1ccc(C(=O)Nc2cccc(I)c2)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(3-iodophenyl)benzamide?
The InChIKey is BYRUALCGEJEANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,15-16H2,(H,17,18).
What are the key properties of 2,4-diamino-N-(3-iodophenyl)benzamide?
2,4-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 2,4-diamino-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 61095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).