2-(3-amino-5-methoxyphenoxy)benzamide

C14H14N2O3 — CID 80747937

IUPAC2-(3-amino-5-methoxyphenoxy)benzamide
SMILESCOc1cc(N)cc(Oc2ccccc2C(N)=O)c1
InChIInChI=1S/C14H14N2O3/c1-18-10-6-9(15)7-11(8-10)19-13-5-3-2-4-12(13)14(16)17/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyZRSPPDIQPQFULD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-amino-5-methoxyphenoxy)benzamide

2-(3-amino-5-methoxyphenoxy)benzamide (PubChem CID 80747937) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-amino-5-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name2-(3-amino-5-methoxyphenoxy)benzamide
PubChem CID80747937
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(3-amino-5-methoxyphenoxy)benzamide
SMILESCOc1cc(N)cc(Oc2ccccc2C(N)=O)c1
InChIInChI=1S/C14H14N2O3/c1-18-10-6-9(15)7-11(8-10)19-13-5-3-2-4-12(13)14(16)17/h2-8H,15H2,1H3,(H2,16,17)
InChIKeyZRSPPDIQPQFULD-UHFFFAOYSA-N
XLogP2.17
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.17
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

2-(3-amino-5-fluorophenoxy)benzamide
CID 80753129
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
3-methoxy-5-naphthalen-1-yloxyaniline
CID 80748267
2-(3-methylphenoxy)benzamide
CID 70968841
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815
2-(3,5-dimethoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 63675108
2-(3-bromo-5-fluorophenoxy)benzamide
CID 81331712
3-(2-amino-3-chlorophenoxy)-5-methoxybenzamide
CID 103566422
3-amino-2-(3,5-dimethoxyanilino)benzamide
CID 115933905
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
1,3,5-trimethoxybenzene;urea
CID 174919725

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methoxyphenoxy)benzamide?
The IUPAC name of 2-(3-amino-5-methoxyphenoxy)benzamide (CID 80747937) is 2-(3-amino-5-methoxyphenoxy)benzamide.
What is the SMILES notation for 2-(3-amino-5-methoxyphenoxy)benzamide?
The canonical SMILES for 2-(3-amino-5-methoxyphenoxy)benzamide is COc1cc(N)cc(Oc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-(3-amino-5-methoxyphenoxy)benzamide?
The InChIKey is ZRSPPDIQPQFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-10-6-9(15)7-11(8-10)19-13-5-3-2-4-12(13)14(16)17/h2-8H,15H2,1H3,(H2,16,17).
What are the key properties of 2-(3-amino-5-methoxyphenoxy)benzamide?
2-(3-amino-5-methoxyphenoxy)benzamide has a molecular weight of 258.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methoxyphenoxy)benzamide is sourced from PubChem (CID 80747937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).