1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea

C20H22F2N2O2 — CID 56586698

IUPAC1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCc1cccc(OC(F)F)c1NC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C20H22F2N2O2/c1-14-7-5-10-16(26-18(21)22)17(14)24-19(25)23-13-20(11-6-12-20)15-8-3-2-4-9-15/h2-5,7-10,18H,6,11-13H2,1H3,(H2,23,24,25)
InChIKeyKPGVUYFBNCECKD-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.84
Rot. Bonds6

About 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea

1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea (PubChem CID 56586698) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
PubChem CID56586698
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCc1cccc(OC(F)F)c1NC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C20H22F2N2O2/c1-14-7-5-10-16(26-18(21)22)17(14)24-19(25)23-13-20(11-6-12-20)15-8-3-2-4-9-15/h2-5,7-10,18H,6,11-13H2,1H3,(H2,23,24,25)
InChIKeyKPGVUYFBNCECKD-UHFFFAOYSA-N
XLogP4.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[3-(difluoromethoxy)phenyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 47039477
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 14977526
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100751316
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]benzamide
CID 36598328
1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea (CID 56586698) is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea is Cc1cccc(OC(F)F)c1NC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The InChIKey is KPGVUYFBNCECKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-14-7-5-10-16(26-18(21)22)17(14)24-19(25)23-13-20(11-6-12-20)15-8-3-2-4-9-15/h2-5,7-10,18H,6,11-13H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea has a molecular weight of 360.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 56586698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).