3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea

C10H13F2N3O — CID 81310656

IUPAC3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C10H13F2N3O/c1-3-15(2)10(16)14-9-7(12)4-6(11)5-8(9)13/h4-5H,3,13H2,1-2H3,(H,14,16)
InChIKeyVRECKVANQHXGSF-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.03
Rot. Bonds2

About 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea

3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea (PubChem CID 81310656) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
PubChem CID81310656
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C10H13F2N3O/c1-3-15(2)10(16)14-9-7(12)4-6(11)5-8(9)13/h4-5H,3,13H2,1-2H3,(H,14,16)
InChIKeyVRECKVANQHXGSF-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
CID 112601922
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
1-(2-amino-4,6-difluorophenyl)-3-phenylurea
CID 81311026
4-[(2-chloro-4,6-difluorophenyl)carbamoyl-methylamino]butanoic acid
CID 83087788
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
N-(2-amino-4,6-difluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205716

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea (CID 81310656) is 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1c(N)cc(F)cc1F.
What is the InChIKey of 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea?
The InChIKey is VRECKVANQHXGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-3-15(2)10(16)14-9-7(12)4-6(11)5-8(9)13/h4-5H,3,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea?
3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea has a molecular weight of 229.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 81310656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).