1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea

C15H20F2N2O3 — CID 94594290

IUPAC1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESC[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H20F2N2O3/c1-10(9-22-14-5-4-11(16)7-13(14)17)19-15(20)18-8-12-3-2-6-21-12/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H2,18,19,20)/t10-,12-/m0/s1
InChIKeyJGAFGSDMWIWTDS-JQWIXIFHSA-N
MW314.33 g/mol
LogP2.21
Rot. Bonds6

About 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea

1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94594290) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94594290
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESC[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C15H20F2N2O3/c1-10(9-22-14-5-4-11(16)7-13(14)17)19-15(20)18-8-12-3-2-6-21-12/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H2,18,19,20)/t10-,12-/m0/s1
InChIKeyJGAFGSDMWIWTDS-JQWIXIFHSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-[[(2R)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 2204781
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
(2R)-N-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95154419
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 94594290) is 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea is C[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is JGAFGSDMWIWTDS-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10(9-22-14-5-4-11(16)7-13(14)17)19-15(20)18-8-12-3-2-6-21-12/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H2,18,19,20)/t10-,12-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 314.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94594290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).