3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea

C18H20F2N2O3 — CID 51952913

IUPAC3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C18H20F2N2O3/c1-12(15-9-4-5-10-16(15)24-3)22(2)18(23)21-13-7-6-8-14(11-13)25-17(19)20/h4-12,17H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyUSYMGGZYHJHSKP-GFCCVEGCSA-N
MW350.37 g/mol
LogP4.52
Rot. Bonds6

About 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea

3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 51952913) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
PubChem CID51952913
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C18H20F2N2O3/c1-12(15-9-4-5-10-16(15)24-3)22(2)18(23)21-13-7-6-8-14(11-13)25-17(19)20/h4-12,17H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyUSYMGGZYHJHSKP-GFCCVEGCSA-N
XLogP4.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyphenyl)-1-[1-(2-fluorophenyl)ethyl]-1-methylurea
CID 87010594
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
N-[3-(difluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55742320
N-[3-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-4-methoxyphenyl]acetamide
CID 55817029
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
[3-(difluoromethoxy)phenyl]thiourea
CID 51000160
3-[3-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)ethyl]-1-(3-phenylpropyl)urea
CID 47081849
1-[1-(4-methoxyphenyl)ethyl]-1-methyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825452
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 94031894

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea (CID 51952913) is 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea is COc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is USYMGGZYHJHSKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-12(15-9-4-5-10-16(15)24-3)22(2)18(23)21-13-7-6-8-14(11-13)25-17(19)20/h4-12,17H,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea?
3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 350.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 51952913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).