ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate

C10H12FN3O3 — CID 91621124

IUPACethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate
SMILESCCOC(=O)N(N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FN3O3/c1-2-17-10(16)14(12)9(15)13-8-5-3-7(11)4-6-8/h3-6H,2,12H2,1H3,(H,13,15)
InChIKeyQBBOUPNFIAOBFI-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.69
Rot. Bonds2

About ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate

ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate (PubChem CID 91621124) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate
PubChem CID91621124
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Nameethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate
SMILESCCOC(=O)N(N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FN3O3/c1-2-17-10(16)14(12)9(15)13-8-5-3-7(11)4-6-8/h3-6H,2,12H2,1H3,(H,13,15)
InChIKeyQBBOUPNFIAOBFI-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate?
The IUPAC name of ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate (CID 91621124) is ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate.
What is the SMILES notation for ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate?
The canonical SMILES for ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate is CCOC(=O)N(N)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate?
The InChIKey is QBBOUPNFIAOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-2-17-10(16)14(12)9(15)13-8-5-3-7(11)4-6-8/h3-6H,2,12H2,1H3,(H,13,15).
What are the key properties of ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate?
ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate has a molecular weight of 241.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-[(4-fluorophenyl)carbamoyl]carbamate is sourced from PubChem (CID 91621124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).