2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide

C15H15IN2O2 — CID 115412666

IUPAC2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C15H15IN2O2/c1-9-7-10(16)3-6-14(9)18-15(19)12-8-11(20-2)4-5-13(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyCCUHONDYIAOULV-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.44
Rot. Bonds3

About 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide

2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide (PubChem CID 115412666) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
PubChem CID115412666
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C15H15IN2O2/c1-9-7-10(16)3-6-14(9)18-15(19)12-8-11(20-2)4-5-13(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyCCUHONDYIAOULV-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.44
H-Bond Donors ≤ 52
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

2-amino-N-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
CID 60954882
2-amino-N-(2-chloro-5-methylphenyl)-5-methoxybenzamide
CID 107624036
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methoxybenzamide
CID 82799632
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide (CID 115412666) is 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)Nc2ccc(I)cc2C)c1.
What is the InChIKey of 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide?
The InChIKey is CCUHONDYIAOULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-9-7-10(16)3-6-14(9)18-15(19)12-8-11(20-2)4-5-13(12)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide?
2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide has a molecular weight of 382.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 115412666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).