N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide

C14H10Cl2INO — CID 115760988

IUPACN-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
SMILESCc1cc(Cl)c(NC(=O)c2ccccc2I)cc1Cl
InChIInChI=1S/C14H10Cl2INO/c1-8-6-11(16)13(7-10(8)15)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19)
InChIKeyHYRJWOVJPVURPG-UHFFFAOYSA-N
MW406.05 g/mol
LogP5.16
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide

N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide (PubChem CID 115760988) has the molecular formula C14H10Cl2INO and a molecular weight of 406.05 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
PubChem CID115760988
Molecular FormulaC14H10Cl2INO
Molecular Weight406.05 g/mol
Exact Mass404.92
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide
SMILESCc1cc(Cl)c(NC(=O)c2ccccc2I)cc1Cl
InChIInChI=1S/C14H10Cl2INO/c1-8-6-11(16)13(7-10(8)15)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19)
InChIKeyHYRJWOVJPVURPG-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.05
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
3-amino-2-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 104725747
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
N-(2,5-dichloro-4-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671657
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
N-(2,5-dichloro-4-methylphenyl)-1-benzothiophene-3-carboxamide
CID 66596334
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
N-(2,5-dichloro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 154754255

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide (CID 115760988) is N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide is Cc1cc(Cl)c(NC(=O)c2ccccc2I)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide?
The InChIKey is HYRJWOVJPVURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2INO/c1-8-6-11(16)13(7-10(8)15)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide?
N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide has a molecular weight of 406.05 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-iodobenzamide is sourced from PubChem (CID 115760988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).