N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

C11H11ClF3NO2 — CID 107492196

IUPACN-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(O)c1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c12-4-5-16(7-11(13,14)15)10(18)8-2-1-3-9(17)6-8/h1-3,6,17H,4-5,7H2
InChIKeyIAFAHHQCIGMUMH-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.64
Rot. Bonds4

About N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide

N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 107492196) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID107492196
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC NameN-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1cccc(O)c1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c12-4-5-16(7-11(13,14)15)10(18)8-2-1-3-9(17)6-8/h1-3,6,17H,4-5,7H2
InChIKeyIAFAHHQCIGMUMH-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.64
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-bromoethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492577
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
4-bromo-3-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107492122
N-(2-chloroethyl)-3-fluoro-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492036
N-(2-chloroethyl)-4-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107491968
N-butyl-3-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 78883501
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 107492182
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide (CID 107492196) is N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1cccc(O)c1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IAFAHHQCIGMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-4-5-16(7-11(13,14)15)10(18)8-2-1-3-9(17)6-8/h1-3,6,17H,4-5,7H2.
What are the key properties of N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide?
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 281.66 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 107492196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).