N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C11H11ClF4N2O2 — CID 43376874

IUPACN-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESNc1ccc(Cl)c(NC(=O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H11ClF4N2O2/c12-7-2-1-6(17)3-8(7)18-9(19)4-20-5-11(15,16)10(13)14/h1-3,10H,4-5,17H2,(H,18,19)
InChIKeyYFQMAPLARQUXAX-UHFFFAOYSA-N
MW314.67 g/mol
LogP2.78
Rot. Bonds6

About N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 43376874) has the molecular formula C11H11ClF4N2O2 and a molecular weight of 314.67 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID43376874
Molecular FormulaC11H11ClF4N2O2
Molecular Weight314.67 g/mol
Exact Mass314.04
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESNc1ccc(Cl)c(NC(=O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C11H11ClF4N2O2/c12-7-2-1-6(17)3-8(7)18-9(19)4-20-5-11(15,16)10(13)14/h1-3,10H,4-5,17H2,(H,18,19)
InChIKeyYFQMAPLARQUXAX-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.67
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide
CID 29004297
N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004312
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
CID 43376858
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86847323
N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004789
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
CID 63834271
N-(5-amino-2-chlorophenyl)-2-(5-bromo-2-fluorophenoxy)acetamide
CID 114671894
N-(5-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 43376777
N-(5-amino-2-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]acetamide
CID 43376685
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473693

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 43376874) is N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Nc1ccc(Cl)c(NC(=O)COCC(F)(F)C(F)F)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is YFQMAPLARQUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF4N2O2/c12-7-2-1-6(17)3-8(7)18-9(19)4-20-5-11(15,16)10(13)14/h1-3,10H,4-5,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 314.67 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 43376874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).