N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H10ClF4NO2 — CID 107491968

IUPACN-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(F)cc1O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H10ClF4NO2/c12-3-4-17(6-11(14,15)16)10(19)8-2-1-7(13)5-9(8)18/h1-2,5,18H,3-4,6H2
InChIKeyNWRVENAEJLZMKI-UHFFFAOYSA-N
MW299.65 g/mol
LogP2.77
Rot. Bonds4

About N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107491968) has the molecular formula C11H10ClF4NO2 and a molecular weight of 299.65 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107491968
Molecular FormulaC11H10ClF4NO2
Molecular Weight299.65 g/mol
Exact Mass299.03
IUPAC NameN-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(F)cc1O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H10ClF4NO2/c12-3-4-17(6-11(14,15)16)10(19)8-2-1-7(13)5-9(8)18/h1-2,5,18H,3-4,6H2
InChIKeyNWRVENAEJLZMKI-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.65
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
N-(2-bromoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726301
N-(2-chloroethyl)-6-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 107491958
N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107492296
2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 107492176
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60757036
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
CID 107016692
N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492086

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107491968) is N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccc(F)cc1O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NWRVENAEJLZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO2/c12-3-4-17(6-11(14,15)16)10(19)8-2-1-7(13)5-9(8)18/h1-2,5,18H,3-4,6H2.
What are the key properties of N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 299.65 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107491968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).