[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid

C14H11N3O3 — CID 69333705

IUPAC[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
SMILESN#Cc1cc(N)ccc1Oc1ccc(NC(=O)O)cc1
InChIInChI=1S/C14H11N3O3/c15-8-9-7-10(16)1-6-13(9)20-12-4-2-11(3-5-12)17-14(18)19/h1-7,17H,16H2,(H,18,19)
InChIKeyFRCPUUDQRAMHHQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.02
Rot. Bonds3

About [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid

[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid (PubChem CID 69333705) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
PubChem CID69333705
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
SMILESN#Cc1cc(N)ccc1Oc1ccc(NC(=O)O)cc1
InChIInChI=1S/C14H11N3O3/c15-8-9-7-10(16)1-6-13(9)20-12-4-2-11(3-5-12)17-14(18)19/h1-7,17H,16H2,(H,18,19)
InChIKeyFRCPUUDQRAMHHQ-UHFFFAOYSA-N
XLogP3.02
TPSA108.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid?
The IUPAC name of [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid (CID 69333705) is [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid.
What is the SMILES notation for [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid?
The canonical SMILES for [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid is N#Cc1cc(N)ccc1Oc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid?
The InChIKey is FRCPUUDQRAMHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-8-9-7-10(16)1-6-13(9)20-12-4-2-11(3-5-12)17-14(18)19/h1-7,17H,16H2,(H,18,19).
What are the key properties of [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid?
[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid has a molecular weight of 269.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid is sourced from PubChem (CID 69333705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).