N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide

C12H13F5N2O2 — CID 82005916

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F5N2O2/c1-6(21-5-10(13)14)11(20)19-7-2-3-9(18)8(4-7)12(15,16)17/h2-4,6,10H,5,18H2,1H3,(H,19,20)
InChIKeyVPFGPXGUFCTAIB-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.90
Rot. Bonds5

About N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide

N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide (PubChem CID 82005916) has the molecular formula C12H13F5N2O2 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
PubChem CID82005916
Molecular FormulaC12H13F5N2O2
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F5N2O2/c1-6(21-5-10(13)14)11(20)19-7-2-3-9(18)8(4-7)12(15,16)17/h2-4,6,10H,5,18H2,1H3,(H,19,20)
InChIKeyVPFGPXGUFCTAIB-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.90
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-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)propanamide
CID 43125796
N-[4-amino-3-(trifluoromethyl)phenyl]-2-butylsulfanylpropanamide
CID 43615777
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82003922
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617506
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
(2R)-2-ethoxy-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 97349753
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
N-[4-amino-3-(trifluoromethyl)phenyl]-4-propan-2-ylsulfanylbutanamide
CID 60887024

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide (CID 82005916) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide is CC(OCC(F)F)C(=O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
The InChIKey is VPFGPXGUFCTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O2/c1-6(21-5-10(13)14)11(20)19-7-2-3-9(18)8(4-7)12(15,16)17/h2-4,6,10H,5,18H2,1H3,(H,19,20).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide has a molecular weight of 312.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 82005916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).