3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide

C17H16BrIN2O2 — CID 55782441

IUPAC3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc(Br)ccc2I)c1
InChIInChI=1S/C17H16BrIN2O2/c1-3-20-16(22)11-5-4-10(2)15(8-11)21-17(23)13-9-12(18)6-7-14(13)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCATCXBJWXBJYRK-UHFFFAOYSA-N
MW487.14 g/mol
LogP4.36
Rot. Bonds4

About 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide

3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide (PubChem CID 55782441) has the molecular formula C17H16BrIN2O2 and a molecular weight of 487.14 g/mol. Its IUPAC name is 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
PubChem CID55782441
Molecular FormulaC17H16BrIN2O2
Molecular Weight487.14 g/mol
Exact Mass485.94
IUPAC Name3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)c2cc(Br)ccc2I)c1
InChIInChI=1S/C17H16BrIN2O2/c1-3-20-16(22)11-5-4-10(2)15(8-11)21-17(23)13-9-12(18)6-7-14(13)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCATCXBJWXBJYRK-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.14
LogP ≤ 54.36
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-bromo-N-ethyl-2-iodobenzamide
CID 47100033
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
5-bromo-2-iodo-N-(2-methylphenyl)benzamide
CID 1368072
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
N-[5-(ethylcarbamoyl)-2-methylphenyl]-2-methoxy-4-methylbenzamide
CID 136533897
N-ethyl-3-[(2-ethylsulfonylbenzoyl)amino]-4-methylbenzamide
CID 55782447
3-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]-N-ethyl-4-methylbenzamide
CID 55782733
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-ethyl-4-methyl-3-(1,2,2-tricyanoethenylamino)benzamide
CID 168606703
3-(but-2-enoylamino)-N-ethyl-4-methylbenzamide
CID 112729428
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide (CID 55782441) is 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(=O)c2cc(Br)ccc2I)c1.
What is the InChIKey of 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide?
The InChIKey is CATCXBJWXBJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrIN2O2/c1-3-20-16(22)11-5-4-10(2)15(8-11)21-17(23)13-9-12(18)6-7-14(13)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide?
3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide has a molecular weight of 487.14 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 55782441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).