3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide

C15H12Cl2INO2 — CID 107232664

IUPAC3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESO=C(NCc1ccc(CO)cc1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C15H12Cl2INO2/c16-11-5-12(14(18)13(17)6-11)15(21)19-7-9-1-3-10(8-20)4-2-9/h1-6,20H,7-8H2,(H,19,21)
InChIKeyYWQGWYAEZUVYBX-UHFFFAOYSA-N
MW436.08 g/mol
LogP4.02
Rot. Bonds4

About 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide

3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide (PubChem CID 107232664) has the molecular formula C15H12Cl2INO2 and a molecular weight of 436.08 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
PubChem CID107232664
Molecular FormulaC15H12Cl2INO2
Molecular Weight436.08 g/mol
Exact Mass434.93
IUPAC Name3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
SMILESO=C(NCc1ccc(CO)cc1)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C15H12Cl2INO2/c16-11-5-12(14(18)13(17)6-11)15(21)19-7-9-1-3-10(8-20)4-2-9/h1-6,20H,7-8H2,(H,19,21)
InChIKeyYWQGWYAEZUVYBX-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.08
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide 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

5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]-2-iodobenzamide
CID 60630083
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
5-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide
CID 103843634
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
3-[(3,5-dichloro-2-iodobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172799
4-[[(5-chloro-2-iodobenzoyl)amino]methyl]benzoic acid
CID 103790087
3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
CID 65119535

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide (CID 107232664) is 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide is O=C(NCc1ccc(CO)cc1)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide?
The InChIKey is YWQGWYAEZUVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2INO2/c16-11-5-12(14(18)13(17)6-11)15(21)19-7-9-1-3-10(8-20)4-2-9/h1-6,20H,7-8H2,(H,19,21).
What are the key properties of 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide?
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide has a molecular weight of 436.08 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 107232664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).