5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide

C12H13BrINO — CID 47113790

IUPAC5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1I)C1CC1
InChIInChI=1S/C12H13BrINO/c1-7(8-2-3-8)15-12(16)10-6-9(13)4-5-11(10)14/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyCVFVESOBJSVSPG-UHFFFAOYSA-N
MW394.05 g/mol
LogP3.58
Rot. Bonds3

About 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide

5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide (PubChem CID 47113790) has the molecular formula C12H13BrINO and a molecular weight of 394.05 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
PubChem CID47113790
Molecular FormulaC12H13BrINO
Molecular Weight394.05 g/mol
Exact Mass392.92
IUPAC Name5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1I)C1CC1
InChIInChI=1S/C12H13BrINO/c1-7(8-2-3-8)15-12(16)10-6-9(13)4-5-11(10)14/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyCVFVESOBJSVSPG-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.05
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
5-bromo-2-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461627
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
(2R)-2-[(5-bromo-2-iodobenzoyl)amino]-3-hydroxypropanoic acid
CID 80747894
5-bromo-2-chloro-3-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65372670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide (CID 47113790) is 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide is CC(NC(=O)c1cc(Br)ccc1I)C1CC1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide?
The InChIKey is CVFVESOBJSVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrINO/c1-7(8-2-3-8)15-12(16)10-6-9(13)4-5-11(10)14/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide?
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide has a molecular weight of 394.05 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide is sourced from PubChem (CID 47113790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).