2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C11H8BrF3INO — CID 106547554

IUPAC2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(I)ccc1Br
InChIInChI=1S/C11H8BrF3INO/c12-8-2-1-6(16)5-7(8)9(18)17-10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H,17,18)
InChIKeyRXMYSANXYBLJJI-UHFFFAOYSA-N
MW433.99 g/mol
LogP3.88
Rot. Bonds2

About 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide

2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106547554) has the molecular formula C11H8BrF3INO and a molecular weight of 433.99 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106547554
Molecular FormulaC11H8BrF3INO
Molecular Weight433.99 g/mol
Exact Mass432.88
IUPAC Name2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(I)ccc1Br
InChIInChI=1S/C11H8BrF3INO/c12-8-2-1-6(16)5-7(8)9(18)17-10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H,17,18)
InChIKeyRXMYSANXYBLJJI-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 53.88
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

2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
2-bromo-5-iodo-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528337
2-bromo-5-iodobenzohydrazide
CID 3623021
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 113362668
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 70935267
2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106547554) is 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide is O=C(NC1(C(F)(F)F)CC1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is RXMYSANXYBLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3INO/c12-8-2-1-6(16)5-7(8)9(18)17-10(3-4-10)11(13,14)15/h1-2,5H,3-4H2,(H,17,18).
What are the key properties of 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 433.99 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106547554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).