4-(2-amino-3-cyanophenoxy)benzamide

C14H11N3O2 — CID 104717169

IUPAC4-(2-amino-3-cyanophenoxy)benzamide
SMILESN#Cc1cccc(Oc2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C14H11N3O2/c15-8-10-2-1-3-12(13(10)16)19-11-6-4-9(5-7-11)14(17)18/h1-7H,16H2,(H2,17,18)
InChIKeyHRFKAULZEOYVTF-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.03
Rot. Bonds3

About 4-(2-amino-3-cyanophenoxy)benzamide

4-(2-amino-3-cyanophenoxy)benzamide (PubChem CID 104717169) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(2-amino-3-cyanophenoxy)benzamide.

Molecular Properties

Compound Name4-(2-amino-3-cyanophenoxy)benzamide
PubChem CID104717169
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(2-amino-3-cyanophenoxy)benzamide
SMILESN#Cc1cccc(Oc2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C14H11N3O2/c15-8-10-2-1-3-12(13(10)16)19-11-6-4-9(5-7-11)14(17)18/h1-7H,16H2,(H2,17,18)
InChIKeyHRFKAULZEOYVTF-UHFFFAOYSA-N
XLogP2.03
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.03
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-cyanophenoxy)benzamide
CID 28825078
2-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 115547056
2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
4-(2-cyano-6-methylphenoxy)benzamide
CID 107107475
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-amino-3-(3,5-dimethoxyphenoxy)benzonitrile
CID 104717214
4-(4-carbamoylphenoxy)benzamide
CID 156597124
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
CID 104717151
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyanophenoxy)benzamide?
The IUPAC name of 4-(2-amino-3-cyanophenoxy)benzamide (CID 104717169) is 4-(2-amino-3-cyanophenoxy)benzamide.
What is the SMILES notation for 4-(2-amino-3-cyanophenoxy)benzamide?
The canonical SMILES for 4-(2-amino-3-cyanophenoxy)benzamide is N#Cc1cccc(Oc2ccc(C(N)=O)cc2)c1N.
What is the InChIKey of 4-(2-amino-3-cyanophenoxy)benzamide?
The InChIKey is HRFKAULZEOYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-8-10-2-1-3-12(13(10)16)19-11-6-4-9(5-7-11)14(17)18/h1-7H,16H2,(H2,17,18).
What are the key properties of 4-(2-amino-3-cyanophenoxy)benzamide?
4-(2-amino-3-cyanophenoxy)benzamide has a molecular weight of 253.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyanophenoxy)benzamide is sourced from PubChem (CID 104717169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).