3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide

C16H14Cl2INO2 — CID 22782458

IUPAC3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl
InChIInChI=1S/C16H14Cl2INO2/c1-8-5-14(9(2)4-13(8)19)20-16(21)10-6-11(17)15(22-3)12(18)7-10/h4-7H,1-3H3,(H,20,21)
InChIKeyUEGCAESVIWHMJB-UHFFFAOYSA-N
MW450.10 g/mol
LogP5.48
Rot. Bonds3

About 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide

3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide (PubChem CID 22782458) has the molecular formula C16H14Cl2INO2 and a molecular weight of 450.10 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
PubChem CID22782458
Molecular FormulaC16H14Cl2INO2
Molecular Weight450.10 g/mol
Exact Mass448.94
IUPAC Name3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl
InChIInChI=1S/C16H14Cl2INO2/c1-8-5-14(9(2)4-13(8)19)20-16(21)10-6-11(17)15(22-3)12(18)7-10/h4-7H,1-3H3,(H,20,21)
InChIKeyUEGCAESVIWHMJB-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.10
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
3-chloro-N-(4-iodo-2,5-dimethylphenyl)-4-methylbenzamide
CID 19630910
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
CID 91687685
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethylbenzamide
CID 1297117
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
CID 39133027
ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate
CID 110179148
2-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 7375111
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide (CID 22782458) is 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cc(C)c(I)cc2C)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide?
The InChIKey is UEGCAESVIWHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2INO2/c1-8-5-14(9(2)4-13(8)19)20-16(21)10-6-11(17)15(22-3)12(18)7-10/h4-7H,1-3H3,(H,20,21).
What are the key properties of 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide?
3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide has a molecular weight of 450.10 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-iodo-2,5-dimethylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 22782458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).