3-amino-2-(2-chloro-4-iodoanilino)benzamide

C13H11ClIN3O — CID 107607634

IUPAC3-amino-2-(2-chloro-4-iodoanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H11ClIN3O/c14-9-6-7(15)4-5-11(9)18-12-8(13(17)19)2-1-3-10(12)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyUKFCJLKIUNCKCN-UHFFFAOYSA-N
MW387.61 g/mol
LogP3.37
Rot. Bonds3

About 3-amino-2-(2-chloro-4-iodoanilino)benzamide

3-amino-2-(2-chloro-4-iodoanilino)benzamide (PubChem CID 107607634) has the molecular formula C13H11ClIN3O and a molecular weight of 387.61 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-iodoanilino)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-chloro-4-iodoanilino)benzamide
PubChem CID107607634
Molecular FormulaC13H11ClIN3O
Molecular Weight387.61 g/mol
Exact Mass386.96
IUPAC Name3-amino-2-(2-chloro-4-iodoanilino)benzamide
SMILESNC(=O)c1cccc(N)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C13H11ClIN3O/c14-9-6-7(15)4-5-11(9)18-12-8(13(17)19)2-1-3-10(12)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyUKFCJLKIUNCKCN-UHFFFAOYSA-N
XLogP3.37
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 53.37
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)benzoic acid
CID 107607626
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
CID 104725074
3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
3-amino-2-(2-cyano-4-fluoroanilino)benzamide
CID 115935439
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
3-chloro-4-(2-chloro-4-iodoanilino)benzenecarbothioamide
CID 107606743

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-iodoanilino)benzamide?
The IUPAC name of 3-amino-2-(2-chloro-4-iodoanilino)benzamide (CID 107607634) is 3-amino-2-(2-chloro-4-iodoanilino)benzamide.
What is the SMILES notation for 3-amino-2-(2-chloro-4-iodoanilino)benzamide?
The canonical SMILES for 3-amino-2-(2-chloro-4-iodoanilino)benzamide is NC(=O)c1cccc(N)c1Nc1ccc(I)cc1Cl.
What is the InChIKey of 3-amino-2-(2-chloro-4-iodoanilino)benzamide?
The InChIKey is UKFCJLKIUNCKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN3O/c14-9-6-7(15)4-5-11(9)18-12-8(13(17)19)2-1-3-10(12)16/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 3-amino-2-(2-chloro-4-iodoanilino)benzamide?
3-amino-2-(2-chloro-4-iodoanilino)benzamide has a molecular weight of 387.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-4-iodoanilino)benzamide is sourced from PubChem (CID 107607634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).