ethyl N-(3-amino-4-fluorophenyl)carbamate

C9H11FN2O2 — CID 22005857

IUPACethyl N-(3-amino-4-fluorophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C9H11FN2O2/c1-2-14-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyALKOHELTOVBDDH-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.98
Rot. Bonds2

About ethyl N-(3-amino-4-fluorophenyl)carbamate

ethyl N-(3-amino-4-fluorophenyl)carbamate (PubChem CID 22005857) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is ethyl N-(3-amino-4-fluorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-amino-4-fluorophenyl)carbamate
PubChem CID22005857
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Nameethyl N-(3-amino-4-fluorophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C9H11FN2O2/c1-2-14-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13)
InChIKeyALKOHELTOVBDDH-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.98
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

butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
(3-amino-4-fluorophenyl)urea
CID 16776521
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-amino-4-fluorophenyl)carbamate?
The IUPAC name of ethyl N-(3-amino-4-fluorophenyl)carbamate (CID 22005857) is ethyl N-(3-amino-4-fluorophenyl)carbamate.
What is the SMILES notation for ethyl N-(3-amino-4-fluorophenyl)carbamate?
The canonical SMILES for ethyl N-(3-amino-4-fluorophenyl)carbamate is CCOC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of ethyl N-(3-amino-4-fluorophenyl)carbamate?
The InChIKey is ALKOHELTOVBDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-14-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13).
What are the key properties of ethyl N-(3-amino-4-fluorophenyl)carbamate?
ethyl N-(3-amino-4-fluorophenyl)carbamate has a molecular weight of 198.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-amino-4-fluorophenyl)carbamate is sourced from PubChem (CID 22005857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).