5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide

C16H13Cl2IN2O2 — CID 60602258

IUPAC5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cc(Cl)ccc2I)c(Cl)c1
InChIInChI=1S/C16H13Cl2IN2O2/c1-9-2-5-14(12(18)6-9)21-15(22)8-20-16(23)11-7-10(17)3-4-13(11)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyIZTBZBMGRRCNDL-UHFFFAOYSA-N
MW463.10 g/mol
LogP4.27
Rot. Bonds4

About 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide

5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide (PubChem CID 60602258) has the molecular formula C16H13Cl2IN2O2 and a molecular weight of 463.10 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
PubChem CID60602258
Molecular FormulaC16H13Cl2IN2O2
Molecular Weight463.10 g/mol
Exact Mass461.94
IUPAC Name5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cc(Cl)ccc2I)c(Cl)c1
InChIInChI=1S/C16H13Cl2IN2O2/c1-9-2-5-14(12(18)6-9)21-15(22)8-20-16(23)11-7-10(17)3-4-13(11)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyIZTBZBMGRRCNDL-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.10
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2,6-difluorobenzamide
CID 86865949
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
2,4-dichloro-N-[1-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 60602985
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099362

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide (CID 60602258) is 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide is Cc1ccc(NC(=O)CNC(=O)c2cc(Cl)ccc2I)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide?
The InChIKey is IZTBZBMGRRCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2IN2O2/c1-9-2-5-14(12(18)6-9)21-15(22)8-20-16(23)11-7-10(17)3-4-13(11)19/h2-7H,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide?
5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide has a molecular weight of 463.10 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 60602258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).