N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide

C14H11F3N2O2 — CID 43554704

IUPACN-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
SMILESNc1cc(NC(=O)COc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C14H11F3N2O2/c15-10-4-2-9(6-12(10)17)21-7-14(20)19-8-1-3-11(16)13(18)5-8/h1-6H,7,18H2,(H,19,20)
InChIKeyARASLONYSBSWGV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.70
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide

N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide (PubChem CID 43554704) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
PubChem CID43554704
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
SMILESNc1cc(NC(=O)COc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C14H11F3N2O2/c15-10-4-2-9(6-12(10)17)21-7-14(20)19-8-1-3-11(16)13(18)5-8/h1-6H,7,18H2,(H,19,20)
InChIKeyARASLONYSBSWGV-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.70
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-(3-amino-4-methylphenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107168696
N-(3-amino-4-fluorophenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16784468
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
2-(3,4-difluorophenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26216294
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62317828
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide (CID 43554704) is N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide is Nc1cc(NC(=O)COc2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide?
The InChIKey is ARASLONYSBSWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-10-4-2-9(6-12(10)17)21-7-14(20)19-8-1-3-11(16)13(18)5-8/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide?
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide has a molecular weight of 296.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide is sourced from PubChem (CID 43554704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).