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

C11H10BrClF3NO2 — CID 113351071

IUPAC2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1Br)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H10BrClF3NO2/c12-9-2-1-7(13)5-8(9)10(19)17(3-4-18)6-11(14,15)16/h1-2,5,18H,3-4,6H2
InChIKeyLAKZDMNUJQFVPF-UHFFFAOYSA-N
MW360.56 g/mol
LogP3.10
Rot. Bonds4

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

2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 113351071) has the molecular formula C11H10BrClF3NO2 and a molecular weight of 360.56 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID113351071
Molecular FormulaC11H10BrClF3NO2
Molecular Weight360.56 g/mol
Exact Mass358.95
IUPAC Name2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1Br)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H10BrClF3NO2/c12-9-2-1-7(13)5-8(9)10(19)17(3-4-18)6-11(14,15)16/h1-2,5,18H,3-4,6H2
InChIKeyLAKZDMNUJQFVPF-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 107483375
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
2-chloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 114034182
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 113351071) is 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cc(Cl)ccc1Br)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LAKZDMNUJQFVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO2/c12-9-2-1-7(13)5-8(9)10(19)17(3-4-18)6-11(14,15)16/h1-2,5,18H,3-4,6H2.
What are the key properties of 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 360.56 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 113351071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).