1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea

C10H12F2N2O2 — CID 134178081

IUPAC1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea
SMILESCCONC(=O)Nc1c(C)cc(F)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-3-16-14-10(15)13-9-6(2)4-7(11)5-8(9)12/h4-5H,3H2,1-2H3,(H2,13,14,15)
InChIKeyPCSHZQVXEWZNSS-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.35
Rot. Bonds3

About 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea

1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea (PubChem CID 134178081) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea.

Molecular Properties

Compound Name1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea
PubChem CID134178081
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea
SMILESCCONC(=O)Nc1c(C)cc(F)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-3-16-14-10(15)13-9-6(2)4-7(11)5-8(9)12/h4-5H,3H2,1-2H3,(H2,13,14,15)
InChIKeyPCSHZQVXEWZNSS-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea 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-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
CID 143694332
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
ethyl 2-(2-chloro-4,6-difluoroanilino)-2-oxoacetate
CID 83087259
ethyl (E)-4-(2,4,6-trifluoroanilino)but-2-enoate
CID 80548223
N-(4-fluoro-2,6-dimethylphenyl)propanamide;yttrium
CID 159722509
ethyl 2-[(2,4,6-trifluoroanilino)methyl]prop-2-enoate
CID 103255006
1-(diaminomethylidene)-3-(4-ethyl-2-fluoro-6-methylphenyl)urea
CID 23348828
2-[2-(2,4-difluoro-6-methylanilino)ethylamino]acetamide
CID 71047365
carbanide;N-(4-fluoro-2,6-dimethylphenyl)pentanamide;platinum
CID 156737620
ethyl 3,5-difluoro-4-(iodoamino)benzoate
CID 175243105
ethyl 2-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]acetate
CID 103601355

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea?
The IUPAC name of 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea (CID 134178081) is 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea.
What is the SMILES notation for 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea?
The canonical SMILES for 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea is CCONC(=O)Nc1c(C)cc(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea?
The InChIKey is PCSHZQVXEWZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-3-16-14-10(15)13-9-6(2)4-7(11)5-8(9)12/h4-5H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea?
1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea has a molecular weight of 230.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea is sourced from PubChem (CID 134178081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).