1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

C15H20F2N2O2 — CID 43061470

IUPAC1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(11-5-6-12(16)13(17)8-11)18-15(20)19-10(2)14-4-3-7-21-14/h5-6,8-10,14H,3-4,7H2,1-2H3,(H2,18,19,20)
InChIKeyQFVATIVZXVDDII-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.89
Rot. Bonds4

About 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 43061470) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID43061470
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(11-5-6-12(16)13(17)8-11)18-15(20)19-10(2)14-4-3-7-21-14/h5-6,8-10,14H,3-4,7H2,1-2H3,(H2,18,19,20)
InChIKeyQFVATIVZXVDDII-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-isopropenylphenyl)-1-methylethyl]-N'-(tetrahydro-2-furanylmethyl)urea
CID 2788461
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
N-[1-(tetrahydro-2-furanyl)ethyl]-N'-[2-(trifluoromethyl)phenyl]urea
CID 2957113
2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746900
2-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 50746957
(1R,5S)-N-(4-fluorobenzyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 71795967
1-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536729
1-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536740
3-(8-Benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-1,1-dimethylurea
CID 118745398
1-Benzyl-3-(oxolan-2-ylmethyl)urea
CID 10633458
(3S)-N-[(1R)-1-(2,3-difluorophenyl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 129429304
1-[(4-Fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 42935389

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 43061470) is 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is CC(NC(=O)NC(C)C1CCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is QFVATIVZXVDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(11-5-6-12(16)13(17)8-11)18-15(20)19-10(2)14-4-3-7-21-14/h5-6,8-10,14H,3-4,7H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 298.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 43061470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).