2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide

C13H16BrIN2O — CID 113251331

IUPAC2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc(I)cc1Br)C1CC1
InChIInChI=1S/C13H16BrIN2O/c1-2-17(10-4-5-10)13(18)8-16-12-6-3-9(15)7-11(12)14/h3,6-7,10,16H,2,4-5,8H2,1H3
InChIKeyWJHDOGSYWRPWCG-UHFFFAOYSA-N
MW423.09 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide

2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide (PubChem CID 113251331) has the molecular formula C13H16BrIN2O and a molecular weight of 423.09 g/mol. Its IUPAC name is 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
PubChem CID113251331
Molecular FormulaC13H16BrIN2O
Molecular Weight423.09 g/mol
Exact Mass421.95
IUPAC Name2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc(I)cc1Br)C1CC1
InChIInChI=1S/C13H16BrIN2O/c1-2-17(10-4-5-10)13(18)8-16-12-6-3-9(15)7-11(12)14/h3,6-7,10,16H,2,4-5,8H2,1H3
InChIKeyWJHDOGSYWRPWCG-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.09
LogP ≤ 53.48
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

2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488153
N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
CID 115755804
2-(4-acetamidoanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488338
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 61488089
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide
CID 54956869
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911
2-bromo-N-(cycloheptylmethyl)-4-iodoaniline
CID 114258973
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]-N-methylbenzamide
CID 55435805
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide (CID 113251331) is 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CNc1ccc(I)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is WJHDOGSYWRPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrIN2O/c1-2-17(10-4-5-10)13(18)8-16-12-6-3-9(15)7-11(12)14/h3,6-7,10,16H,2,4-5,8H2,1H3.
What are the key properties of 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide?
2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 423.09 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 113251331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).