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

C12H13BrINO — CID 114315773

IUPACN-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
SMILESO=C(NCC(Br)C1CC1)c1ccccc1I
InChIInChI=1S/C12H13BrINO/c13-10(8-5-6-8)7-15-12(16)9-3-1-2-4-11(9)14/h1-4,8,10H,5-7H2,(H,15,16)
InChIKeyWIVWUOKSRMIOET-UHFFFAOYSA-N
MW394.05 g/mol
LogP3.19
Rot. Bonds4

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

N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide (PubChem CID 114315773) has the molecular formula C12H13BrINO and a molecular weight of 394.05 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
PubChem CID114315773
Molecular FormulaC12H13BrINO
Molecular Weight394.05 g/mol
Exact Mass392.92
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide
SMILESO=C(NCC(Br)C1CC1)c1ccccc1I
InChIInChI=1S/C12H13BrINO/c13-10(8-5-6-8)7-15-12(16)9-3-1-2-4-11(9)14/h1-4,8,10H,5-7H2,(H,15,16)
InChIKeyWIVWUOKSRMIOET-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.05
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-iodobenzamide
CID 90498837
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
N-(2-bromo-2-cyclopropylethyl)-2-methylpyridine-3-carboxamide
CID 114315880
N-(2-bromo-2-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 113275942
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
N-(2-bromo-2-cyclopropylethyl)-4-methylthiophene-3-carboxamide
CID 114315738
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296385
methyl 2-chloro-3-[(2-iodobenzoyl)amino]propanoate
CID 103492717

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide (CID 114315773) is N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide is O=C(NCC(Br)C1CC1)c1ccccc1I.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide?
The InChIKey is WIVWUOKSRMIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrINO/c13-10(8-5-6-8)7-15-12(16)9-3-1-2-4-11(9)14/h1-4,8,10H,5-7H2,(H,15,16).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide?
N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide has a molecular weight of 394.05 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-2-iodobenzamide is sourced from PubChem (CID 114315773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).