1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea

C17H18F2N2O2 — CID 97417893

IUPAC1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
SMILESCO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1C
InChIInChI=1S/C17H18F2N2O2/c1-11-6-3-4-7-12(11)15(23-2)10-20-17(22)21-16-13(18)8-5-9-14(16)19/h3-9,15H,10H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyZGMFFEZONIXYIC-OAHLLOKOSA-N
MW320.34 g/mol
LogP3.78
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea

1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 97417893) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
PubChem CID97417893
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
SMILESCO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1C
InChIInChI=1S/C17H18F2N2O2/c1-11-6-3-4-7-12(11)15(23-2)10-20-17(22)21-16-13(18)8-5-9-14(16)19/h3-9,15H,10H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeyZGMFFEZONIXYIC-OAHLLOKOSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71810588
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
3-(2-fluorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 97417764
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90598970
1-(2,6-difluorophenyl)-3-[(2-methylphenyl)methyl]urea
CID 47133130
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea (CID 97417893) is 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea is CO[C@H](CNC(=O)Nc1c(F)cccc1F)c1ccccc1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is ZGMFFEZONIXYIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11-6-3-4-7-12(11)15(23-2)10-20-17(22)21-16-13(18)8-5-9-14(16)19/h3-9,15H,10H2,1-2H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 320.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 97417893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).