1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea

C13H18F2N2O3 — CID 94197746

IUPAC1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@H](C)COc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-9(17-13(18)16-5-6-19-2)8-20-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,17,18)/t9-/m1/s1
InChIKeyKMTJAQJKDZPATR-SECBINFHSA-N
MW288.29 g/mol
LogP1.68
Rot. Bonds7

About 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea

1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea (PubChem CID 94197746) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
PubChem CID94197746
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)N[C@H](C)COc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O3/c1-9(17-13(18)16-5-6-19-2)8-20-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,17,18)/t9-/m1/s1
InChIKeyKMTJAQJKDZPATR-SECBINFHSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94594290
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94623859
(2S,4S)-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624769
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 60580755
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea (CID 94197746) is 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea is COCCNC(=O)N[C@H](C)COc1ccc(F)cc1F.
What is the InChIKey of 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea?
The InChIKey is KMTJAQJKDZPATR-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-9(17-13(18)16-5-6-19-2)8-20-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,16,17,18)/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea?
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea has a molecular weight of 288.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 94197746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).