3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea

C17H20F2N2O3 — CID 95263064

IUPAC3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea
SMILESC[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)[C@@H](C)c1ccco1
InChIInChI=1S/C17H20F2N2O3/c1-11(10-24-16-7-6-13(18)9-14(16)19)20-17(22)21(3)12(2)15-5-4-8-23-15/h4-9,11-12H,10H2,1-3H3,(H,20,22)/t11-,12-/m0/s1
InChIKeySQZYDOCXNTVHIS-RYUDHWBXSA-N
MW338.35 g/mol
LogP3.73
Rot. Bonds6

About 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea

3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea (PubChem CID 95263064) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea
PubChem CID95263064
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea
SMILESC[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)[C@@H](C)c1ccco1
InChIInChI=1S/C17H20F2N2O3/c1-11(10-24-16-7-6-13(18)9-14(16)19)20-17(22)21(3)12(2)15-5-4-8-23-15/h4-9,11-12H,10H2,1-3H3,(H,20,22)/t11-,12-/m0/s1
InChIKeySQZYDOCXNTVHIS-RYUDHWBXSA-N
XLogP3.73
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea with MolForge

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Related Compounds

3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
CID 95263067
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
N-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-2,2-dimethylpent-4-ynamide
CID 99784636
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
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94623859
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926918
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea?
The IUPAC name of 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea (CID 95263064) is 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea is C[C@@H](COc1ccc(F)cc1F)NC(=O)N(C)[C@@H](C)c1ccco1.
What is the InChIKey of 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea?
The InChIKey is SQZYDOCXNTVHIS-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-11(10-24-16-7-6-13(18)9-14(16)19)20-17(22)21(3)12(2)15-5-4-8-23-15/h4-9,11-12H,10H2,1-3H3,(H,20,22)/t11-,12-/m0/s1.
What are the key properties of 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea?
3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea has a molecular weight of 338.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-1-[(1S)-1-(furan-2-yl)ethyl]-1-methylurea is sourced from PubChem (CID 95263064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).