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

C15H20F2N2O3 — CID 111111724

IUPAC1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1cccc(OC(F)F)c1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C15H20F2N2O3/c1-10-5-4-6-11(22-13(16)17)12(10)19-14(20)18-9-15(21)7-2-3-8-15/h4-6,13,21H,2-3,7-9H2,1H3,(H2,18,19,20)
InChIKeySZONEPXXAJYYHJ-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.02
Rot. Bonds5

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

1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111111724) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111111724
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCc1cccc(OC(F)F)c1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C15H20F2N2O3/c1-10-5-4-6-11(22-13(16)17)12(10)19-14(20)18-9-15(21)7-2-3-8-15/h4-6,13,21H,2-3,7-9H2,1H3,(H2,18,19,20)
InChIKeySZONEPXXAJYYHJ-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]urea
CID 56557413
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 75457913
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557318

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111111724) is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea is Cc1cccc(OC(F)F)c1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is SZONEPXXAJYYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10-5-4-6-11(22-13(16)17)12(10)19-14(20)18-9-15(21)7-2-3-8-15/h4-6,13,21H,2-3,7-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 314.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111111724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).