1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea

C16H23FN2O2 — CID 134006700

IUPAC1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C16H23FN2O2/c1-3-19(11-13-6-4-7-14(17)10-13)16(20)18-12(2)15-8-5-9-21-15/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyJONYAXZQTLDMQQ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.92
Rot. Bonds5

About 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea

1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea (PubChem CID 134006700) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
PubChem CID134006700
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NC(C)C1CCCO1
InChIInChI=1S/C16H23FN2O2/c1-3-19(11-13-6-4-7-14(17)10-13)16(20)18-12(2)15-8-5-9-21-15/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,18,20)
InChIKeyJONYAXZQTLDMQQ-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94021442
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 94021444
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 58368122
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 95643433
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea (CID 134006700) is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea is CCN(Cc1cccc(F)c1)C(=O)NC(C)C1CCCO1.
What is the InChIKey of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
The InChIKey is JONYAXZQTLDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-19(11-13-6-4-7-14(17)10-13)16(20)18-12(2)15-8-5-9-21-15/h4,6-7,10,12,15H,3,5,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea?
1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea has a molecular weight of 294.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-[1-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 134006700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).