N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide

C15H15IN2O — CID 103807583

IUPACN-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
SMILESCc1cc(N)ccc1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H15IN2O/c1-9-4-3-5-12(14(9)16)15(19)18-13-7-6-11(17)8-10(13)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFFNMDKXEMWWWDL-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.74
Rot. Bonds2

About N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide

N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide (PubChem CID 103807583) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
PubChem CID103807583
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC NameN-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
SMILESCc1cc(N)ccc1NC(=O)c1cccc(C)c1I
InChIInChI=1S/C15H15IN2O/c1-9-4-3-5-12(14(9)16)15(19)18-13-7-6-11(17)8-10(13)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFFNMDKXEMWWWDL-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.74
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

N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
N-(4-amino-2-methylphenyl)-2,4-difluoro-5-methylbenzamide
CID 115737618
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide (CID 103807583) is N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide is Cc1cc(N)ccc1NC(=O)c1cccc(C)c1I.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide?
The InChIKey is FFNMDKXEMWWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-9-4-3-5-12(14(9)16)15(19)18-13-7-6-11(17)8-10(13)2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide?
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide has a molecular weight of 366.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 103807583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).