3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C15H19ClF2N2O3 — CID 109396930

IUPAC3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H19ClF2N2O3/c1-20(8-9-3-2-4-12(9)21)15(22)19-10-5-6-13(11(16)7-10)23-14(17)18/h5-7,9,12,14,21H,2-4,8H2,1H3,(H,19,22)
InChIKeySPHVRAFMRWYCLR-UHFFFAOYSA-N
MW348.78 g/mol
LogP3.57
Rot. Bonds5

About 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109396930) has the molecular formula C15H19ClF2N2O3 and a molecular weight of 348.78 g/mol. Its IUPAC name is 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109396930
Molecular FormulaC15H19ClF2N2O3
Molecular Weight348.78 g/mol
Exact Mass348.11
IUPAC Name3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCN(CC1CCCC1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H19ClF2N2O3/c1-20(8-9-3-2-4-12(9)21)15(22)19-10-5-6-13(11(16)7-10)23-14(17)18/h5-7,9,12,14,21H,2-4,8H2,1H3,(H,19,22)
InChIKeySPHVRAFMRWYCLR-UHFFFAOYSA-N
XLogP3.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
3-(3-chloro-4-cyanophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396934
N-(3-chloro-4-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109398989
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94819523
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
3-(3-ethylsulfanylphenyl)-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97326881
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4-piperidin-1-ylphenyl)urea
CID 109396901
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-propan-2-yloxyphenyl)urea
CID 109396973
3-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012767

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109396930) is 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CN(CC1CCCC1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is SPHVRAFMRWYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O3/c1-20(8-9-3-2-4-12(9)21)15(22)19-10-5-6-13(11(16)7-10)23-14(17)18/h5-7,9,12,14,21H,2-4,8H2,1H3,(H,19,22).
What are the key properties of 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 348.78 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109396930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).