1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea

C18H20F2N2O3 — CID 38326796

IUPAC1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccccc2C)cc1OC(F)F
InChIInChI=1S/C18H20F2N2O3/c1-12-5-3-4-6-14(12)11-22-18(23)21-10-13-7-8-15(24-2)16(9-13)25-17(19)20/h3-9,17H,10-11H2,1-2H3,(H2,21,22,23)
InChIKeyMKFQRNNGTNEVDM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.60
Rot. Bonds7

About 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 38326796) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID38326796
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NCc2ccccc2C)cc1OC(F)F
InChIInChI=1S/C18H20F2N2O3/c1-12-5-3-4-6-14(12)11-22-18(23)21-10-13-7-8-15(24-2)16(9-13)25-17(19)20/h3-9,17H,10-11H2,1-2H3,(H2,21,22,23)
InChIKeyMKFQRNNGTNEVDM-UHFFFAOYSA-N
XLogP3.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
CID 51128772
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 60541664
1-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359578
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60554654
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea (CID 38326796) is 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea is COc1ccc(CNC(=O)NCc2ccccc2C)cc1OC(F)F.
What is the InChIKey of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is MKFQRNNGTNEVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-12-5-3-4-6-14(12)11-22-18(23)21-10-13-7-8-15(24-2)16(9-13)25-17(19)20/h3-9,17H,10-11H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea?
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 350.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 38326796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).