N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide

C15H13N3O2 — CID 104717151

IUPACN-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1cccc(C#N)c1N
InChIInChI=1S/C15H13N3O2/c1-10(19)18-12-6-2-3-7-13(12)20-14-8-4-5-11(9-16)15(14)17/h2-8H,17H2,1H3,(H,18,19)
InChIKeyANQHIGNGSKBOTE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.89
Rot. Bonds3

About N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide

N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide (PubChem CID 104717151) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
PubChem CID104717151
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1cccc(C#N)c1N
InChIInChI=1S/C15H13N3O2/c1-10(19)18-12-6-2-3-7-13(12)20-14-8-4-5-11(9-16)15(14)17/h2-8H,17H2,1H3,(H,18,19)
InChIKeyANQHIGNGSKBOTE-UHFFFAOYSA-N
XLogP2.89
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.89
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

N-[2-(2-amino-5-cyanophenoxy)phenyl]acetamide
CID 104712475
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289
N-[2-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]acetamide
CID 83074567
2-amino-3-(3,5-dimethoxyphenoxy)benzonitrile
CID 104717214
N-(2,6-dicyanophenyl)acetamide
CID 151583122
(2-acetamidophenyl) hypochlorite
CID 150463309

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide?
The IUPAC name of N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide (CID 104717151) is N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide is CC(=O)Nc1ccccc1Oc1cccc(C#N)c1N.
What is the InChIKey of N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide?
The InChIKey is ANQHIGNGSKBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10(19)18-12-6-2-3-7-13(12)20-14-8-4-5-11(9-16)15(14)17/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide?
N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-3-cyanophenoxy)phenyl]acetamide is sourced from PubChem (CID 104717151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).