5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C15H19BrINO — CID 114033241

IUPAC5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2cc(Br)ccc2I)C1(C)C
InChIInChI=1S/C15H19BrINO/c1-14(2)12(15(14,3)4)8-18-13(19)10-7-9(16)5-6-11(10)17/h5-7,12H,8H2,1-4H3,(H,18,19)
InChIKeyKMTQKIQPNXPDSE-UHFFFAOYSA-N
MW436.13 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 114033241) has the molecular formula C15H19BrINO and a molecular weight of 436.13 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID114033241
Molecular FormulaC15H19BrINO
Molecular Weight436.13 g/mol
Exact Mass434.97
IUPAC Name5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2cc(Br)ccc2I)C1(C)C
InChIInChI=1S/C15H19BrINO/c1-14(2)12(15(14,3)4)8-18-13(19)10-7-9(16)5-6-11(10)17/h5-7,12H,8H2,1-4H3,(H,18,19)
InChIKeyKMTQKIQPNXPDSE-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
5-bromo-2-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107303210
3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447
5-bromo-N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 114032603
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
CID 113265778
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
CID 103899328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 114033241) is 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CC1(C)C(CNC(=O)c2cc(Br)ccc2I)C1(C)C.
What is the InChIKey of 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is KMTQKIQPNXPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrINO/c1-14(2)12(15(14,3)4)8-18-13(19)10-7-9(16)5-6-11(10)17/h5-7,12H,8H2,1-4H3,(H,18,19).
What are the key properties of 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 436.13 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114033241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).