1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea

C18H19FN2O — CID 71546750

IUPAC1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea
SMILESC=C(c1ccccc1)N(C)C(=O)N(CC)c1ccccc1F
InChIInChI=1S/C18H19FN2O/c1-4-21(17-13-9-8-12-16(17)19)18(22)20(3)14(2)15-10-6-5-7-11-15/h5-13H,2,4H2,1,3H3
InChIKeySAENVIRPCXAXQZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.37
Rot. Bonds4

About 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea

1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea (PubChem CID 71546750) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea
PubChem CID71546750
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea
SMILESC=C(c1ccccc1)N(C)C(=O)N(CC)c1ccccc1F
InChIInChI=1S/C18H19FN2O/c1-4-21(17-13-9-8-12-16(17)19)18(22)20(3)14(2)15-10-6-5-7-11-15/h5-13H,2,4H2,1,3H3
InChIKeySAENVIRPCXAXQZ-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Fluometuron
CID 16562
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
CID 62300
Centralite
CID 6828
CL 277082
CID 125893
Diampromide
CID 62370
1,3-Dimethyl-1,3-diphenylurea
CID 11917
Nfepp
CID 71605072
Atglistatin
CID 71699712
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
Ccg-50014
CID 2733079

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea?
The IUPAC name of 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea (CID 71546750) is 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea?
The canonical SMILES for 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea is C=C(c1ccccc1)N(C)C(=O)N(CC)c1ccccc1F.
What is the InChIKey of 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea?
The InChIKey is SAENVIRPCXAXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-4-21(17-13-9-8-12-16(17)19)18(22)20(3)14(2)15-10-6-5-7-11-15/h5-13H,2,4H2,1,3H3.
What are the key properties of 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea?
1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea has a molecular weight of 298.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea is sourced from PubChem (CID 71546750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).