2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide

C15H13N3O3 — CID 61313483

IUPAC2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H13N3O3/c1-20-14-6-9(8-16)2-5-13(14)21-10-3-4-12(17)11(7-10)15(18)19/h2-7H,17H2,1H3,(H2,18,19)
InChIKeyMLECWXSGXOOSCY-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide

2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide (PubChem CID 61313483) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide
PubChem CID61313483
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H13N3O3/c1-20-14-6-9(8-16)2-5-13(14)21-10-3-4-12(17)11(7-10)15(18)19/h2-7H,17H2,1H3,(H2,18,19)
InChIKeyMLECWXSGXOOSCY-UHFFFAOYSA-N
XLogP2.04
TPSA111.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxamide
CID 114408412
4-(4-cyano-2-methoxyphenoxy)-2-methylbenzoic acid
CID 62134443
4-(3-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 103202022
2-amino-5-methoxybenzamide;ethane
CID 142071126
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
4-(4-cyano-2-methoxyphenoxy)pyridine-2-carboxylic acid
CID 43325992
4-[4-(1-hydroxyethyl)phenoxy]-3-methoxybenzonitrile
CID 43506373
4-(3-acetyl-4-aminoanilino)-3-methoxybenzonitrile
CID 104847862
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
4-amino-3-(4-bromo-3-fluorophenoxy)benzonitrile
CID 113444333
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide?
The IUPAC name of 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide (CID 61313483) is 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide.
What is the SMILES notation for 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide?
The canonical SMILES for 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide is COc1cc(C#N)ccc1Oc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide?
The InChIKey is MLECWXSGXOOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-14-6-9(8-16)2-5-13(14)21-10-3-4-12(17)11(7-10)15(18)19/h2-7H,17H2,1H3,(H2,18,19).
What are the key properties of 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide?
2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide has a molecular weight of 283.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide is sourced from PubChem (CID 61313483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).