4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide

C14H12F2N2O3 — CID 61015827

IUPAC4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1c(F)cc(N)cc1F
InChIInChI=1S/C14H12F2N2O3/c1-20-12-4-7(14(18)19)2-3-11(12)21-13-9(15)5-8(17)6-10(13)16/h2-6H,17H2,1H3,(H2,18,19)
InChIKeyKZZIRCGLJBYVLD-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.45
Rot. Bonds4

About 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide

4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide (PubChem CID 61015827) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
PubChem CID61015827
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1Oc1c(F)cc(N)cc1F
InChIInChI=1S/C14H12F2N2O3/c1-20-12-4-7(14(18)19)2-3-11(12)21-13-9(15)5-8(17)6-10(13)16/h2-6H,17H2,1H3,(H2,18,19)
InChIKeyKZZIRCGLJBYVLD-UHFFFAOYSA-N
XLogP2.45
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
4-butoxy-3-methoxybenzamide
CID 47102628
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
4-[(5-amino-6-methoxy-2-pyridinyl)oxy]-3-methoxybenzamide
CID 43262362
4-(4-amino-1-methylpyrazol-3-yl)oxy-3-methoxybenzamide
CID 103079086
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
4-methoxy-3-pentoxybenzamide
CID 82041442
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide?
The IUPAC name of 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide (CID 61015827) is 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide.
What is the SMILES notation for 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide?
The canonical SMILES for 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide is COc1cc(C(N)=O)ccc1Oc1c(F)cc(N)cc1F.
What is the InChIKey of 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide?
The InChIKey is KZZIRCGLJBYVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-20-12-4-7(14(18)19)2-3-11(12)21-13-9(15)5-8(17)6-10(13)16/h2-6H,17H2,1H3,(H2,18,19).
What are the key properties of 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide?
4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide has a molecular weight of 294.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide is sourced from PubChem (CID 61015827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).