1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea

C15H20F2N2O3 — CID 95759878

IUPAC1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)[C@H]1CCCO1
InChIInChI=1S/C15H20F2N2O3/c1-10(14-3-2-7-22-14)19-15(20)18-6-8-21-11-4-5-12(16)13(17)9-11/h4-5,9-10,14H,2-3,6-8H2,1H3,(H2,18,19,20)/t10-,14+/m0/s1
InChIKeyANUSMNGBZXHFBM-IINYFYTJSA-N
MW314.33 g/mol
LogP2.21
Rot. Bonds6

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

1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 95759878) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID95759878
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)[C@H]1CCCO1
InChIInChI=1S/C15H20F2N2O3/c1-10(14-3-2-7-22-14)19-15(20)18-6-8-21-11-4-5-12(16)13(17)9-11/h4-5,9-10,14H,2-3,6-8H2,1H3,(H2,18,19,20)/t10-,14+/m0/s1
InChIKeyANUSMNGBZXHFBM-IINYFYTJSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methyl-N-[2-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoylamino]ethyl]benzamide
CID 36978066
N-[2-(3,4-difluorophenoxy)ethyl]-4-(oxolan-2-yl)piperidine-1-carboxamide
CID 127996993
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 110893460
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 94031387
2-(3,4-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 62598927
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 51959977
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 95759878) is 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is C[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)[C@H]1CCCO1.
What is the InChIKey of 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is ANUSMNGBZXHFBM-IINYFYTJSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10(14-3-2-7-22-14)19-15(20)18-6-8-21-11-4-5-12(16)13(17)9-11/h4-5,9-10,14H,2-3,6-8H2,1H3,(H2,18,19,20)/t10-,14+/m0/s1.
What are the key properties of 1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]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-[2-(3,4-difluorophenoxy)ethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95759878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).