3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

C11H11Cl2F3N2O2 — CID 61115392

IUPAC3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cc(C(=O)N(CCO)CC(F)(F)F)cc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2F3N2O2/c12-7-3-6(4-8(17)9(7)13)10(20)18(1-2-19)5-11(14,15)16/h3-4,19H,1-2,5,17H2
InChIKeyFHWRJOBYPVWOJQ-UHFFFAOYSA-N
MW331.12 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61115392) has the molecular formula C11H11Cl2F3N2O2 and a molecular weight of 331.12 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61115392
Molecular FormulaC11H11Cl2F3N2O2
Molecular Weight331.12 g/mol
Exact Mass330.01
IUPAC Name3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1cc(C(=O)N(CCO)CC(F)(F)F)cc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2F3N2O2/c12-7-3-6(4-8(17)9(7)13)10(20)18(1-2-19)5-11(14,15)16/h3-4,19H,1-2,5,17H2
InChIKeyFHWRJOBYPVWOJQ-UHFFFAOYSA-N
XLogP2.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 52.57
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 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 61115392) is 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is Nc1cc(C(=O)N(CCO)CC(F)(F)F)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FHWRJOBYPVWOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O2/c12-7-3-6(4-8(17)9(7)13)10(20)18(1-2-19)5-11(14,15)16/h3-4,19H,1-2,5,17H2.
What are the key properties of 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 331.12 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61115392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).