ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate

C10H11F2N3O3 — CID 51178974

IUPACethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
SMILESCCOC(=O)NNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H11F2N3O3/c1-2-18-10(17)15-14-9(16)13-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H,15,17)(H2,13,14,16)
InChIKeyVRPMWOQTJTYSSL-UHFFFAOYSA-N
MW259.21 g/mol
LogP1.75
Rot. Bonds2

About ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate

ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate (PubChem CID 51178974) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
PubChem CID51178974
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Nameethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
SMILESCCOC(=O)NNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H11F2N3O3/c1-2-18-10(17)15-14-9(16)13-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H,15,17)(H2,13,14,16)
InChIKeyVRPMWOQTJTYSSL-UHFFFAOYSA-N
XLogP1.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
CID 113351033
2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
CID 79337416
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
CID 51168686
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate?
The IUPAC name of ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate (CID 51178974) is ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate.
What is the SMILES notation for ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate?
The canonical SMILES for ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate is CCOC(=O)NNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate?
The InChIKey is VRPMWOQTJTYSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-2-18-10(17)15-14-9(16)13-8-4-3-6(11)5-7(8)12/h3-5H,2H2,1H3,(H,15,17)(H2,13,14,16).
What are the key properties of ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate?
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate has a molecular weight of 259.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate is sourced from PubChem (CID 51178974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).