4-amino-3-(3-iodoanilino)benzamide

C13H12IN3O — CID 63355912

IUPAC4-amino-3-(3-iodoanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2cccc(I)c2)c1
InChIInChI=1S/C13H12IN3O/c14-9-2-1-3-10(7-9)17-12-6-8(13(16)18)4-5-11(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyMRWOOAZAWPDRIJ-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.72
Rot. Bonds3

About 4-amino-3-(3-iodoanilino)benzamide

4-amino-3-(3-iodoanilino)benzamide (PubChem CID 63355912) has the molecular formula C13H12IN3O and a molecular weight of 353.16 g/mol. Its IUPAC name is 4-amino-3-(3-iodoanilino)benzamide.

Molecular Properties

Compound Name4-amino-3-(3-iodoanilino)benzamide
PubChem CID63355912
Molecular FormulaC13H12IN3O
Molecular Weight353.16 g/mol
Exact Mass353.00
IUPAC Name4-amino-3-(3-iodoanilino)benzamide
SMILESNC(=O)c1ccc(N)c(Nc2cccc(I)c2)c1
InChIInChI=1S/C13H12IN3O/c14-9-2-1-3-10(7-9)17-12-6-8(13(16)18)4-5-11(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyMRWOOAZAWPDRIJ-UHFFFAOYSA-N
XLogP2.72
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.72
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

4-amino-3-(2,6-dibromoanilino)benzamide
CID 107596524
4-amino-3-(4-bromoanilino)benzamide
CID 63356088
4-amino-3-(2,6-dichloroanilino)benzamide
CID 65468318
4-amino-3-(3-chloroanilino)benzoic acid
CID 82785514
4-amino-3-(2-bromoanilino)benzamide
CID 55191226
4-amino-3-(4-methylsulfonylanilino)benzamide
CID 63355958
methyl 2-amino-5-(3-iodoanilino)benzoate
CID 63425538
methyl 4-amino-3-[3-(dimethylamino)anilino]benzoate
CID 82776085
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
4-amino-3-[3-(methoxymethyl)anilino]benzoic acid
CID 82784847
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-iodoanilino)benzamide?
The IUPAC name of 4-amino-3-(3-iodoanilino)benzamide (CID 63355912) is 4-amino-3-(3-iodoanilino)benzamide.
What is the SMILES notation for 4-amino-3-(3-iodoanilino)benzamide?
The canonical SMILES for 4-amino-3-(3-iodoanilino)benzamide is NC(=O)c1ccc(N)c(Nc2cccc(I)c2)c1.
What is the InChIKey of 4-amino-3-(3-iodoanilino)benzamide?
The InChIKey is MRWOOAZAWPDRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN3O/c14-9-2-1-3-10(7-9)17-12-6-8(13(16)18)4-5-11(12)15/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 4-amino-3-(3-iodoanilino)benzamide?
4-amino-3-(3-iodoanilino)benzamide has a molecular weight of 353.16 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-iodoanilino)benzamide is sourced from PubChem (CID 63355912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).