[2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid

C14H13FN2O3 — CID 22224772

IUPAC[2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid
SMILESCOc1cccc(F)c1-c1ccc(NC(=O)O)c(N)c1
InChIInChI=1S/C14H13FN2O3/c1-20-12-4-2-3-9(15)13(12)8-5-6-11(10(16)7-8)17-14(18)19/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyINJLUANVMJPUPY-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.17
Rot. Bonds3

About [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid

[2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid (PubChem CID 22224772) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid
PubChem CID22224772
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name[2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid
SMILESCOc1cccc(F)c1-c1ccc(NC(=O)O)c(N)c1
InChIInChI=1S/C14H13FN2O3/c1-20-12-4-2-3-9(15)13(12)8-5-6-11(10(16)7-8)17-14(18)19/h2-7,17H,16H2,1H3,(H,18,19)
InChIKeyINJLUANVMJPUPY-UHFFFAOYSA-N
XLogP3.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid (CID 22224772) is [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid is COc1cccc(F)c1-c1ccc(NC(=O)O)c(N)c1.
What is the InChIKey of [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid?
The InChIKey is INJLUANVMJPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-12-4-2-3-9(15)13(12)8-5-6-11(10(16)7-8)17-14(18)19/h2-7,17H,16H2,1H3,(H,18,19).
What are the key properties of [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid?
[2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid has a molecular weight of 276.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid is sourced from PubChem (CID 22224772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).