4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide

C14H12F2N2O2 — CID 63357499

IUPAC4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F2N2O2/c1-18-14(19)8-2-5-12(17)13(6-8)20-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyOVIWSJLASQCJIR-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.70
Rot. Bonds3

About 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide

4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide (PubChem CID 63357499) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
PubChem CID63357499
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F2N2O2/c1-18-14(19)8-2-5-12(17)13(6-8)20-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyOVIWSJLASQCJIR-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
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

4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-(3-bromo-4-fluorophenoxy)benzamide
CID 83233647
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
4-amino-N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 66276494
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide (CID 63357499) is 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide?
The InChIKey is OVIWSJLASQCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-18-14(19)8-2-5-12(17)13(6-8)20-9-3-4-10(15)11(16)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide?
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide has a molecular weight of 278.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide is sourced from PubChem (CID 63357499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).