3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide

C11H12Cl2INO2 — CID 106182456

IUPAC3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
SMILESCOCC(CCl)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H12Cl2INO2/c1-17-6-8(5-12)15-11(16)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyHDMNDRZGOXDYAN-UHFFFAOYSA-N
MW388.03 g/mol
LogP2.93
Rot. Bonds5

About 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide

3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide (PubChem CID 106182456) has the molecular formula C11H12Cl2INO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
PubChem CID106182456
Molecular FormulaC11H12Cl2INO2
Molecular Weight388.03 g/mol
Exact Mass386.93
IUPAC Name3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide
SMILESCOCC(CCl)NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H12Cl2INO2/c1-17-6-8(5-12)15-11(16)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyHDMNDRZGOXDYAN-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-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

3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 103851083
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
N-(1-chloro-3-methoxypropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 114154989
N-(4-chloro-1-methoxybutan-2-yl)-3-hydroxy-4-iodobenzamide
CID 106155621
N-(1-chloro-3-methoxypropan-2-yl)-4-cyanobenzamide
CID 106182364
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
3-chloro-4-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103222227
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
3-chloro-4-iodo-N-(3-methylpentan-2-yl)benzamide
CID 103221997
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide (CID 106182456) is 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide is COCC(CCl)NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide?
The InChIKey is HDMNDRZGOXDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2INO2/c1-17-6-8(5-12)15-11(16)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide?
3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide has a molecular weight of 388.03 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 106182456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).