2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

C11H12ClF3N2O2 — CID 61116525

IUPAC2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c12-7-1-2-8(9(16)5-7)10(19)17(3-4-18)6-11(13,14)15/h1-2,5,18H,3-4,6,16H2
InChIKeyQBMDATYZMMFARV-UHFFFAOYSA-N
MW296.68 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61116525) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61116525
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c12-7-1-2-8(9(16)5-7)10(19)17(3-4-18)6-11(13,14)15/h1-2,5,18H,3-4,6,16H2
InChIKeyQBMDATYZMMFARV-UHFFFAOYSA-N
XLogP1.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 61116525) is 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is Nc1cc(Cl)ccc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QBMDATYZMMFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c12-7-1-2-8(9(16)5-7)10(19)17(3-4-18)6-11(13,14)15/h1-2,5,18H,3-4,6,16H2.
What are the key properties of 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 296.68 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61116525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).