1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea

C18H27FN2O3 — CID 71920093

IUPAC1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
SMILESCC(CNC(=O)N(C)C(C)c1ccccc1F)CC1(C)OCCO1
InChIInChI=1S/C18H27FN2O3/c1-13(11-18(3)23-9-10-24-18)12-20-17(22)21(4)14(2)15-7-5-6-8-16(15)19/h5-8,13-14H,9-12H2,1-4H3,(H,20,22)
InChIKeyXVQIIPIWRABHKB-UHFFFAOYSA-N
MW338.42 g/mol
LogP3.32
Rot. Bonds6

About 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea

1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea (PubChem CID 71920093) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
PubChem CID71920093
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea
SMILESCC(CNC(=O)N(C)C(C)c1ccccc1F)CC1(C)OCCO1
InChIInChI=1S/C18H27FN2O3/c1-13(11-18(3)23-9-10-24-18)12-20-17(22)21(4)14(2)15-7-5-6-8-16(15)19/h5-8,13-14H,9-12H2,1-4H3,(H,20,22)
InChIKeyXVQIIPIWRABHKB-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]methyl]butanoic acid
CID 65226301
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
(2S)-2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 62985653
N-[1-(2-fluorophenyl)ethyl]-N-methylpiperidine-1-carboxamide
CID 115589121
N-[1-(2-fluorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655796
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
CID 71864463
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
N,N-diethyl-3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]benzamide
CID 87009194
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
(2S)-3-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 107839811
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea (CID 71920093) is 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea is CC(CNC(=O)N(C)C(C)c1ccccc1F)CC1(C)OCCO1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea?
The InChIKey is XVQIIPIWRABHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-13(11-18(3)23-9-10-24-18)12-20-17(22)21(4)14(2)15-7-5-6-8-16(15)19/h5-8,13-14H,9-12H2,1-4H3,(H,20,22).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea?
1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea has a molecular weight of 338.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-1-methyl-3-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]urea is sourced from PubChem (CID 71920093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).