5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide

C11H10BrF3INO2 — CID 107483375

IUPAC5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc(Br)ccc1I)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H10BrF3INO2/c12-7-1-2-9(16)8(5-7)10(19)17(3-4-18)6-11(13,14)15/h1-2,5,18H,3-4,6H2
InChIKeyLHKFRGRGKDMBJR-UHFFFAOYSA-N
MW452.01 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide

5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107483375) has the molecular formula C11H10BrF3INO2 and a molecular weight of 452.01 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107483375
Molecular FormulaC11H10BrF3INO2
Molecular Weight452.01 g/mol
Exact Mass450.89
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc(Br)ccc1I)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H10BrF3INO2/c12-7-1-2-9(16)8(5-7)10(19)17(3-4-18)6-11(13,14)15/h1-2,5,18H,3-4,6H2
InChIKeyLHKFRGRGKDMBJR-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.01
LogP ≤ 53.05
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-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
CID 43573631
2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 81308078
2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
2-[(2-amino-2-oxoethyl)-(5-bromo-2-iodobenzoyl)amino]acetic acid
CID 107433911
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
3-amino-2,5-difluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
5-bromo-2-chloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide (CID 107483375) is 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cc(Br)ccc1I)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LHKFRGRGKDMBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3INO2/c12-7-1-2-9(16)8(5-7)10(19)17(3-4-18)6-11(13,14)15/h1-2,5,18H,3-4,6H2.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide?
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 452.01 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107483375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).