2-amino-N-(2-iodophenyl)-3-methylbenzamide

C14H13IN2O — CID 28977715

IUPAC2-amino-N-(2-iodophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2I)c1N
InChIInChI=1S/C14H13IN2O/c1-9-5-4-6-10(13(9)16)14(18)17-12-8-3-2-7-11(12)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyDXEAECASNHQLIJ-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.43
Rot. Bonds2

About 2-amino-N-(2-iodophenyl)-3-methylbenzamide

2-amino-N-(2-iodophenyl)-3-methylbenzamide (PubChem CID 28977715) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-amino-N-(2-iodophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-iodophenyl)-3-methylbenzamide
PubChem CID28977715
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name2-amino-N-(2-iodophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2I)c1N
InChIInChI=1S/C14H13IN2O/c1-9-5-4-6-10(13(9)16)14(18)17-12-8-3-2-7-11(12)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyDXEAECASNHQLIJ-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 61111804
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
CID 61074628
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
2-(2-amino-3-methylphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 79147398
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-iodophenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2-iodophenyl)-3-methylbenzamide (CID 28977715) is 2-amino-N-(2-iodophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-iodophenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-iodophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2I)c1N.
What is the InChIKey of 2-amino-N-(2-iodophenyl)-3-methylbenzamide?
The InChIKey is DXEAECASNHQLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-5-4-6-10(13(9)16)14(18)17-12-8-3-2-7-11(12)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-iodophenyl)-3-methylbenzamide?
2-amino-N-(2-iodophenyl)-3-methylbenzamide has a molecular weight of 352.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-iodophenyl)-3-methylbenzamide is sourced from PubChem (CID 28977715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).