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

C14H11N3O2 — CID 113333275

IUPAC2-amino-3-(3-cyanophenoxy)benzamide
SMILESN#Cc1cccc(Oc2cccc(C(N)=O)c2N)c1
InChIInChI=1S/C14H11N3O2/c15-8-9-3-1-4-10(7-9)19-12-6-2-5-11(13(12)16)14(17)18/h1-7H,16H2,(H2,17,18)
InChIKeyDQULZOJROBODPG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.03
Rot. Bonds3

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

2-amino-3-(3-cyanophenoxy)benzamide (PubChem CID 113333275) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-3-(3-cyanophenoxy)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-cyanophenoxy)benzamide
PubChem CID113333275
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-amino-3-(3-cyanophenoxy)benzamide
SMILESN#Cc1cccc(Oc2cccc(C(N)=O)c2N)c1
InChIInChI=1S/C14H11N3O2/c15-8-9-3-1-4-10(7-9)19-12-6-2-5-11(13(12)16)14(17)18/h1-7H,16H2,(H2,17,18)
InChIKeyDQULZOJROBODPG-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

2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
2-amino-3-(4-cyano-3-fluorophenoxy)benzamide
CID 115547365
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
2-amino-3-(3,4-difluorophenoxy)benzamide
CID 113333318
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-2-methylbenzamide
CID 70081497
4-(3-cyanophenoxy)naphthalene-1-carboxylic acid
CID 174753689
5-bromo-2-(3-cyanophenoxy)benzoic acid
CID 114061355
2-amino-3-(3-bromo-5-fluorophenoxy)benzamide
CID 113333380
3-(2-chlorophenoxy)benzonitrile
CID 22148146

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-cyanophenoxy)benzamide?
The IUPAC name of 2-amino-3-(3-cyanophenoxy)benzamide (CID 113333275) is 2-amino-3-(3-cyanophenoxy)benzamide.
What is the SMILES notation for 2-amino-3-(3-cyanophenoxy)benzamide?
The canonical SMILES for 2-amino-3-(3-cyanophenoxy)benzamide is N#Cc1cccc(Oc2cccc(C(N)=O)c2N)c1.
What is the InChIKey of 2-amino-3-(3-cyanophenoxy)benzamide?
The InChIKey is DQULZOJROBODPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-8-9-3-1-4-10(7-9)19-12-6-2-5-11(13(12)16)14(17)18/h1-7H,16H2,(H2,17,18).
What are the key properties of 2-amino-3-(3-cyanophenoxy)benzamide?
2-amino-3-(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 2-amino-3-(3-cyanophenoxy)benzamide is sourced from PubChem (CID 113333275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).