phenyl N-(5-amino-2-fluorophenyl)carbamate

C13H11FN2O2 — CID 43602338

IUPACphenyl N-(5-amino-2-fluorophenyl)carbamate
SMILESNc1ccc(F)c(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C13H11FN2O2/c14-11-7-6-9(15)8-12(11)16-13(17)18-10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17)
InChIKeyAFURNPPCXCLVSN-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.02
Rot. Bonds2

About phenyl N-(5-amino-2-fluorophenyl)carbamate

phenyl N-(5-amino-2-fluorophenyl)carbamate (PubChem CID 43602338) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is phenyl N-(5-amino-2-fluorophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-amino-2-fluorophenyl)carbamate
PubChem CID43602338
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namephenyl N-(5-amino-2-fluorophenyl)carbamate
SMILESNc1ccc(F)c(NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C13H11FN2O2/c14-11-7-6-9(15)8-12(11)16-13(17)18-10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17)
InChIKeyAFURNPPCXCLVSN-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(2-fluorophenyl)carbamate
CID 3790948
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phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
4-chloro-2-fluoro-5-methylaniline;phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 70115366
(E)-N-(5-amino-2-fluorophenyl)-3-phenylprop-2-enamide
CID 43600104
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
CID 164584343
N-(5-amino-2-fluorophenyl)-3-propan-2-yloxybenzamide
CID 62919110
(4-aminophenyl) N-(5-chloro-2-hydroxyphenyl)carbamate
CID 10468799
phenyl N-(2,6-difluoro-3-methylphenyl)carbamate
CID 82820468

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-amino-2-fluorophenyl)carbamate?
The IUPAC name of phenyl N-(5-amino-2-fluorophenyl)carbamate (CID 43602338) is phenyl N-(5-amino-2-fluorophenyl)carbamate.
What is the SMILES notation for phenyl N-(5-amino-2-fluorophenyl)carbamate?
The canonical SMILES for phenyl N-(5-amino-2-fluorophenyl)carbamate is Nc1ccc(F)c(NC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-(5-amino-2-fluorophenyl)carbamate?
The InChIKey is AFURNPPCXCLVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-7-6-9(15)8-12(11)16-13(17)18-10-4-2-1-3-5-10/h1-8H,15H2,(H,16,17).
What are the key properties of phenyl N-(5-amino-2-fluorophenyl)carbamate?
phenyl N-(5-amino-2-fluorophenyl)carbamate has a molecular weight of 246.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-amino-2-fluorophenyl)carbamate is sourced from PubChem (CID 43602338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).