N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C11H12ClF3N2O2 — CID 16794251

IUPACN-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H12ClF3N2O2/c1-6(19-5-11(13,14)15)10(18)17-9-4-7(12)2-3-8(9)16/h2-4,6H,5,16H2,1H3,(H,17,18)
InChIKeyKPTSPBORAJPDLT-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.83
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 16794251) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID16794251
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H12ClF3N2O2/c1-6(19-5-11(13,14)15)10(18)17-9-4-7(12)2-3-8(9)16/h2-4,6H,5,16H2,1H3,(H,17,18)
InChIKeyKPTSPBORAJPDLT-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2-amino-4-chlorophenyl)-2-(4,4,4-trifluorobutoxy)propanamide
CID 82780960
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
CID 43327290
(2R)-N-(5-chloro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38950816
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 43080501

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 16794251) is N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is KPTSPBORAJPDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-6(19-5-11(13,14)15)10(18)17-9-4-7(12)2-3-8(9)16/h2-4,6H,5,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 296.68 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 16794251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).