N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide

C15H13N3O2 — CID 43548948

IUPACN-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
SMILESN#Cc1cc(N)ccc1NC(=O)COc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-9-11-8-12(17)6-7-14(11)18-15(19)10-20-13-4-2-1-3-5-13/h1-8H,10,17H2,(H,18,19)
InChIKeyGPOSIKRABRYOEQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.16
Rot. Bonds4

About N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide

N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide (PubChem CID 43548948) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
PubChem CID43548948
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
SMILESN#Cc1cc(N)ccc1NC(=O)COc1ccccc1
InChIInChI=1S/C15H13N3O2/c16-9-11-8-12(17)6-7-14(11)18-15(19)10-20-13-4-2-1-3-5-13/h1-8H,10,17H2,(H,18,19)
InChIKeyGPOSIKRABRYOEQ-UHFFFAOYSA-N
XLogP2.16
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.16
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-(4-amino-2-cyanophenyl)-2-ethoxyacetamide
CID 43548887
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107796931
5-amino-2-(2-phenoxyethylamino)benzonitrile
CID 55013137
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
N-(2-cyanophenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 26216328
N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
CID 62878827
3,4-bis[(2-phenoxyacetyl)amino]benzoate
CID 3511141
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62317828

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide (CID 43548948) is N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide is N#Cc1cc(N)ccc1NC(=O)COc1ccccc1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide?
The InChIKey is GPOSIKRABRYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-11-8-12(17)6-7-14(11)18-15(19)10-20-13-4-2-1-3-5-13/h1-8H,10,17H2,(H,18,19).
What are the key properties of N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide?
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide has a molecular weight of 267.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide is sourced from PubChem (CID 43548948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).