2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide

C9H12IN3O — CID 146654172

IUPAC2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN)cc1NI
InChIInChI=1S/C9H12IN3O/c1-6-2-3-7(4-8(6)13-10)12-9(14)5-11/h2-4,13H,5,11H2,1H3,(H,12,14)
InChIKeyVPGWZYRPPCGYCQ-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.65
Rot. Bonds3

About 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide

2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide (PubChem CID 146654172) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
PubChem CID146654172
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CN)cc1NI
InChIInChI=1S/C9H12IN3O/c1-6-2-3-7(4-8(6)13-10)12-9(14)5-11/h2-4,13H,5,11H2,1H3,(H,12,14)
InChIKeyVPGWZYRPPCGYCQ-UHFFFAOYSA-N
XLogP1.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-amino-N-[3-[(4-chlorophenyl)carbamoylamino]-4-methylphenyl]acetamide
CID 39186247
2-amino-N-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192494
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625
2-amino-N-[3-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192502
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide
CID 39185496
2-amino-N-(6-methylnaphthalen-2-yl)acetamide
CID 115151559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide (CID 146654172) is 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CN)cc1NI.
What is the InChIKey of 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide?
The InChIKey is VPGWZYRPPCGYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-6-2-3-7(4-8(6)13-10)12-9(14)5-11/h2-4,13H,5,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide?
2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide has a molecular weight of 305.12 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide is sourced from PubChem (CID 146654172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).