methyl N-[(4-fluorophenyl)carbamoylamino]carbamate

C9H10FN3O3 — CID 24535891

IUPACmethyl N-[(4-fluorophenyl)carbamoylamino]carbamate
SMILESCOC(=O)NNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H10FN3O3/c1-16-9(15)13-12-8(14)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,13,15)(H2,11,12,14)
InChIKeyPICSNCSKUKGBSE-UHFFFAOYSA-N
MW227.20 g/mol
LogP1.22
Rot. Bonds1

About methyl N-[(4-fluorophenyl)carbamoylamino]carbamate

methyl N-[(4-fluorophenyl)carbamoylamino]carbamate (PubChem CID 24535891) has the molecular formula C9H10FN3O3 and a molecular weight of 227.20 g/mol. Its IUPAC name is methyl N-[(4-fluorophenyl)carbamoylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-fluorophenyl)carbamoylamino]carbamate
PubChem CID24535891
Molecular FormulaC9H10FN3O3
Molecular Weight227.20 g/mol
Exact Mass227.07
IUPAC Namemethyl N-[(4-fluorophenyl)carbamoylamino]carbamate
SMILESCOC(=O)NNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C9H10FN3O3/c1-16-9(15)13-12-8(14)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,13,15)(H2,11,12,14)
InChIKeyPICSNCSKUKGBSE-UHFFFAOYSA-N
XLogP1.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-[(4-fluorophenyl)carbamoylamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
CID 901022
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
1-(2-bromoanilino)-3-(4-fluorophenyl)urea
CID 17482426
methyl N-[(4-bromophenyl)carbamothioylamino]carbamate
CID 971874
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
methyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)carbamate
CID 47132568
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
1-(6-bromo-2-methyl-3-pyridinyl)-3-(4-fluorophenyl)urea
CID 166636722

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-fluorophenyl)carbamoylamino]carbamate?
The IUPAC name of methyl N-[(4-fluorophenyl)carbamoylamino]carbamate (CID 24535891) is methyl N-[(4-fluorophenyl)carbamoylamino]carbamate.
What is the SMILES notation for methyl N-[(4-fluorophenyl)carbamoylamino]carbamate?
The canonical SMILES for methyl N-[(4-fluorophenyl)carbamoylamino]carbamate is COC(=O)NNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl N-[(4-fluorophenyl)carbamoylamino]carbamate?
The InChIKey is PICSNCSKUKGBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c1-16-9(15)13-12-8(14)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,13,15)(H2,11,12,14).
What are the key properties of methyl N-[(4-fluorophenyl)carbamoylamino]carbamate?
methyl N-[(4-fluorophenyl)carbamoylamino]carbamate has a molecular weight of 227.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-fluorophenyl)carbamoylamino]carbamate is sourced from PubChem (CID 24535891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).