3-amino-2-(3-iodo-4-methylanilino)benzamide

C14H14IN3O — CID 114257938

IUPAC3-amino-2-(3-iodo-4-methylanilino)benzamide
SMILESCc1ccc(Nc2c(N)cccc2C(N)=O)cc1I
InChIInChI=1S/C14H14IN3O/c1-8-5-6-9(7-11(8)15)18-13-10(14(17)19)3-2-4-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyIBTLQZKKADAAOZ-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-2-(3-iodo-4-methylanilino)benzamide

3-amino-2-(3-iodo-4-methylanilino)benzamide (PubChem CID 114257938) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-amino-2-(3-iodo-4-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-iodo-4-methylanilino)benzamide
PubChem CID114257938
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name3-amino-2-(3-iodo-4-methylanilino)benzamide
SMILESCc1ccc(Nc2c(N)cccc2C(N)=O)cc1I
InChIInChI=1S/C14H14IN3O/c1-8-5-6-9(7-11(8)15)18-13-10(14(17)19)3-2-4-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyIBTLQZKKADAAOZ-UHFFFAOYSA-N
XLogP3.02
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.02
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

3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
3-amino-2-(3-ethoxyanilino)benzamide
CID 115934510
methyl 3-amino-2-(3-bromo-4-methylanilino)benzoate
CID 115935014
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
CID 104725074
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
2-(3-iodo-4-methylanilino)pyridine-3-carbothioamide
CID 114257497

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-iodo-4-methylanilino)benzamide?
The IUPAC name of 3-amino-2-(3-iodo-4-methylanilino)benzamide (CID 114257938) is 3-amino-2-(3-iodo-4-methylanilino)benzamide.
What is the SMILES notation for 3-amino-2-(3-iodo-4-methylanilino)benzamide?
The canonical SMILES for 3-amino-2-(3-iodo-4-methylanilino)benzamide is Cc1ccc(Nc2c(N)cccc2C(N)=O)cc1I.
What is the InChIKey of 3-amino-2-(3-iodo-4-methylanilino)benzamide?
The InChIKey is IBTLQZKKADAAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c1-8-5-6-9(7-11(8)15)18-13-10(14(17)19)3-2-4-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-2-(3-iodo-4-methylanilino)benzamide?
3-amino-2-(3-iodo-4-methylanilino)benzamide has a molecular weight of 367.19 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-iodo-4-methylanilino)benzamide is sourced from PubChem (CID 114257938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).