N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide

C15H15IN2O3 — CID 43549160

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
SMILESCOc1cc(N)c(NC(=O)c2ccccc2I)cc1OC
InChIInChI=1S/C15H15IN2O3/c1-20-13-7-11(17)12(8-14(13)21-2)18-15(19)9-5-3-4-6-10(9)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKJWQCNCOZNLMJE-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.14
Rot. Bonds4

About N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide

N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide (PubChem CID 43549160) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
PubChem CID43549160
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
SMILESCOc1cc(N)c(NC(=O)c2ccccc2I)cc1OC
InChIInChI=1S/C15H15IN2O3/c1-20-13-7-11(17)12(8-14(13)21-2)18-15(19)9-5-3-4-6-10(9)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyKJWQCNCOZNLMJE-UHFFFAOYSA-N
XLogP3.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
CID 4112051
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154
N-(2-amino-4,5-dimethoxyphenyl)-4-methylthiophene-3-carboxamide
CID 79802132
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
N-(4-amino-2,5-diethoxyphenyl)-2-methoxybenzamide
CID 23464291
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725
N-(2-bromo-5-methoxyphenyl)-2-iodobenzamide
CID 62416238
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide (CID 43549160) is N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide is COc1cc(N)c(NC(=O)c2ccccc2I)cc1OC.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide?
The InChIKey is KJWQCNCOZNLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3/c1-20-13-7-11(17)12(8-14(13)21-2)18-15(19)9-5-3-4-6-10(9)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide has a molecular weight of 398.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide is sourced from PubChem (CID 43549160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).