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

C13H11ClN2O2 — CID 22224785

IUPAC[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid
SMILESNc1cc(-c2ccccc2Cl)ccc1NC(=O)O
InChIInChI=1S/C13H11ClN2O2/c14-10-4-2-1-3-9(10)8-5-6-12(11(15)7-8)16-13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyAKQPPXRDGQBUPH-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.68
Rot. Bonds2

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

[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid (PubChem CID 22224785) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid
PubChem CID22224785
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid
SMILESNc1cc(-c2ccccc2Cl)ccc1NC(=O)O
InChIInChI=1S/C13H11ClN2O2/c14-10-4-2-1-3-9(10)8-5-6-12(11(15)7-8)16-13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyAKQPPXRDGQBUPH-UHFFFAOYSA-N
XLogP3.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-chlorophenyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid (CID 22224785) is [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid is Nc1cc(-c2ccccc2Cl)ccc1NC(=O)O.
What is the InChIKey of [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid?
The InChIKey is AKQPPXRDGQBUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-10-4-2-1-3-9(10)8-5-6-12(11(15)7-8)16-13(17)18/h1-7,16H,15H2,(H,17,18).
What are the key properties of [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid?
[2-amino-4-(2-chlorophenyl)phenyl]carbamic acid has a molecular weight of 262.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(2-chlorophenyl)phenyl]carbamic acid is sourced from PubChem (CID 22224785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).