3-amino-2-(5-iodo-2-methylanilino)benzamide

C14H14IN3O — CID 114257924

IUPAC3-amino-2-(5-iodo-2-methylanilino)benzamide
SMILESCc1ccc(I)cc1Nc1c(N)cccc1C(N)=O
InChIInChI=1S/C14H14IN3O/c1-8-5-6-9(15)7-12(8)18-13-10(14(17)19)3-2-4-11(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyKWGWDQDQQBQTFC-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-2-(5-iodo-2-methylanilino)benzamide

3-amino-2-(5-iodo-2-methylanilino)benzamide (PubChem CID 114257924) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-amino-2-(5-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(5-iodo-2-methylanilino)benzamide
PubChem CID114257924
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name3-amino-2-(5-iodo-2-methylanilino)benzamide
SMILESCc1ccc(I)cc1Nc1c(N)cccc1C(N)=O
InChIInChI=1S/C14H14IN3O/c1-8-5-6-9(15)7-12(8)18-13-10(14(17)19)3-2-4-11(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyKWGWDQDQQBQTFC-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-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
CID 104725074
2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
CID 114257930
3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
3-amino-2-(2-chloro-4-iodoanilino)benzoic acid
CID 107607626
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
ethyl 3-amino-2-(5-bromo-2-methylanilino)benzoate
CID 115934212
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-iodo-2-methylanilino)benzamide?
The IUPAC name of 3-amino-2-(5-iodo-2-methylanilino)benzamide (CID 114257924) is 3-amino-2-(5-iodo-2-methylanilino)benzamide.
What is the SMILES notation for 3-amino-2-(5-iodo-2-methylanilino)benzamide?
The canonical SMILES for 3-amino-2-(5-iodo-2-methylanilino)benzamide is Cc1ccc(I)cc1Nc1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(5-iodo-2-methylanilino)benzamide?
The InChIKey is KWGWDQDQQBQTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c1-8-5-6-9(15)7-12(8)18-13-10(14(17)19)3-2-4-11(13)16/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-2-(5-iodo-2-methylanilino)benzamide?
3-amino-2-(5-iodo-2-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-(5-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 114257924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).