3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

C18H26F2N2O2 — CID 110012598

IUPAC3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCCC(NC(=O)N(C)CC1CCCCC1O)c1cc(F)ccc1F
InChIInChI=1S/C18H26F2N2O2/c1-3-16(14-10-13(19)8-9-15(14)20)21-18(24)22(2)11-12-6-4-5-7-17(12)23/h8-10,12,16-17,23H,3-7,11H2,1-2H3,(H,21,24)
InChIKeyQNXHWPBBDVPVHI-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.61
Rot. Bonds5

About 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (PubChem CID 110012598) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
PubChem CID110012598
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCCC(NC(=O)N(C)CC1CCCCC1O)c1cc(F)ccc1F
InChIInChI=1S/C18H26F2N2O2/c1-3-16(14-10-13(19)8-9-15(14)20)21-18(24)22(2)11-12-6-4-5-7-17(12)23/h8-10,12,16-17,23H,3-7,11H2,1-2H3,(H,21,24)
InChIKeyQNXHWPBBDVPVHI-UHFFFAOYSA-N
XLogP3.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110012374
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 109398796
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
CID 110012205
1-[1-(2,5-difluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122890
(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
CID 120794662
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011987

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The IUPAC name of 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (CID 110012598) is 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The canonical SMILES for 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is CCC(NC(=O)N(C)CC1CCCCC1O)c1cc(F)ccc1F.
What is the InChIKey of 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The InChIKey is QNXHWPBBDVPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-3-16(14-10-13(19)8-9-15(14)20)21-18(24)22(2)11-12-6-4-5-7-17(12)23/h8-10,12,16-17,23H,3-7,11H2,1-2H3,(H,21,24).
What are the key properties of 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea has a molecular weight of 340.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is sourced from PubChem (CID 110012598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).