[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate

C10H11FN2O3 — CID 59335547

IUPAC[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
SMILESCCNC(=O)c1ccc(OC(=O)NF)cc1
InChIInChI=1S/C10H11FN2O3/c1-2-12-9(14)7-3-5-8(6-4-7)16-10(15)13-11/h3-6H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyHFSWSBABYGNDOX-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.41
Rot. Bonds3

About [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate

[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate (PubChem CID 59335547) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate.

Molecular Properties

Compound Name[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
PubChem CID59335547
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
SMILESCCNC(=O)c1ccc(OC(=O)NF)cc1
InChIInChI=1S/C10H11FN2O3/c1-2-12-9(14)7-3-5-8(6-4-7)16-10(15)13-11/h3-6H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyHFSWSBABYGNDOX-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(ethylcarbamoyl)phenoxy]boronic acid
CID 142787457
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
[4-(ethylcarbamoyl)phenyl] formate
CID 165120828
[4-(ethylcarbamoyl)phenyl] 4-[ethyl(methyl)amino]benzoate
CID 86960880
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
N-ethylbenzamide
CID 160772566
[4-(methoxymethyl)phenyl] N-fluorocarbamate;molecular fluorine
CID 91256621
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
CID 153373554
CID 153373554

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate?
The IUPAC name of [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate (CID 59335547) is [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate.
What is the SMILES notation for [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate?
The canonical SMILES for [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate is CCNC(=O)c1ccc(OC(=O)NF)cc1.
What is the InChIKey of [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate?
The InChIKey is HFSWSBABYGNDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-2-12-9(14)7-3-5-8(6-4-7)16-10(15)13-11/h3-6H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate?
[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate has a molecular weight of 226.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoyl)phenyl] N-fluorocarbamate is sourced from PubChem (CID 59335547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).