N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide

C15H12IN3O — CID 67451670

IUPACN-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
SMILESO=C(NCc1ccc2n[nH]c(I)c2c1)c1ccccc1
InChIInChI=1S/C15H12IN3O/c16-14-12-8-10(6-7-13(12)18-19-14)9-17-15(20)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyIGCFVTXVWMJFIJ-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.10
Rot. Bonds3

About N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide

N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide (PubChem CID 67451670) has the molecular formula C15H12IN3O and a molecular weight of 377.19 g/mol. Its IUPAC name is N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
PubChem CID67451670
Molecular FormulaC15H12IN3O
Molecular Weight377.19 g/mol
Exact Mass377.00
IUPAC NameN-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
SMILESO=C(NCc1ccc2n[nH]c(I)c2c1)c1ccccc1
InChIInChI=1S/C15H12IN3O/c16-14-12-8-10(6-7-13(12)18-19-14)9-17-15(20)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyIGCFVTXVWMJFIJ-UHFFFAOYSA-N
XLogP3.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide 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

1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
CID 59023753
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
3-iodo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2H-indazole-5-carboxamide
CID 86711001
4-(benzamidomethyl)benzoic acid
CID 10879683
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]benzamide
CID 110785727
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[(5,6-diphenylbenzimidazolo[2,1-a]isoquinolin-2-yl)methyl]benzamide
CID 10601586
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide?
The IUPAC name of N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide (CID 67451670) is N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide?
The canonical SMILES for N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide is O=C(NCc1ccc2n[nH]c(I)c2c1)c1ccccc1.
What is the InChIKey of N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide?
The InChIKey is IGCFVTXVWMJFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O/c16-14-12-8-10(6-7-13(12)18-19-14)9-17-15(20)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide?
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide has a molecular weight of 377.19 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide is sourced from PubChem (CID 67451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).