N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide

C16H13IN4O3 — CID 18151510

IUPACN-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1I
InChIInChI=1S/C16H13IN4O3/c1-10-2-4-12(6-14(10)17)19-16(22)9-20-15-7-13(21(23)24)5-3-11(15)8-18-20/h2-8H,9H2,1H3,(H,19,22)
InChIKeyWUIXGXIAOLQPFH-UHFFFAOYSA-N
MW436.21 g/mol
LogP3.50
Rot. Bonds4

About N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide

N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide (PubChem CID 18151510) has the molecular formula C16H13IN4O3 and a molecular weight of 436.21 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
PubChem CID18151510
Molecular FormulaC16H13IN4O3
Molecular Weight436.21 g/mol
Exact Mass436.00
IUPAC NameN-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1I
InChIInChI=1S/C16H13IN4O3/c1-10-2-4-12(6-14(10)17)19-16(22)9-20-15-7-13(21(23)24)5-3-11(15)8-18-20/h2-8H,9H2,1H3,(H,19,22)
InChIKeyWUIXGXIAOLQPFH-UHFFFAOYSA-N
XLogP3.50
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)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

N-[(4-methylphenyl)methyl]-2-(6-nitroindazol-1-yl)acetamide
CID 16797364
ethyl 2-[[2-(6-nitroindazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 18134594
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
ethyl 2-[[2-(6-nitroindazol-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 16961526
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
N-(2-methoxydibenzofuran-3-yl)-2-(6-nitroindazol-1-yl)acetamide
CID 18151469
ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate
CID 166403884
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-(2,3-dichlorophenyl)-2-(5-nitroindazol-1-yl)acetamide
CID 1205869
1-butyl-6-nitroindazole
CID 155169975
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide (CID 18151510) is N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
The InChIKey is WUIXGXIAOLQPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN4O3/c1-10-2-4-12(6-14(10)17)19-16(22)9-20-15-7-13(21(23)24)5-3-11(15)8-18-20/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide?
N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide has a molecular weight of 436.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-2-(6-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 18151510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).