1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea

C16H22F2N2O2 — CID 94594281

IUPAC1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
SMILESC[C@H](COc1ccc(F)cc1F)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H22F2N2O2/c1-11(10-22-15-8-7-12(17)9-14(15)18)19-16(21)20-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H2,19,20,21)/t11-/m1/s1
InChIKeyUVVRCWOVEUWWPM-LLVKDONJSA-N
MW312.36 g/mol
LogP3.36
Rot. Bonds5

About 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea

1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea (PubChem CID 94594281) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
PubChem CID94594281
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
SMILESC[C@H](COc1ccc(F)cc1F)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H22F2N2O2/c1-11(10-22-15-8-7-12(17)9-14(15)18)19-16(21)20-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H2,19,20,21)/t11-/m1/s1
InChIKeyUVVRCWOVEUWWPM-LLVKDONJSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
1-[(2S)-1-(2,4-difluorophenoxy)propan-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94594290
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119299959
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 60580560
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea (CID 94594281) is 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea is C[C@H](COc1ccc(F)cc1F)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea?
The InChIKey is UVVRCWOVEUWWPM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11(10-22-15-8-7-12(17)9-14(15)18)19-16(21)20-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H2,19,20,21)/t11-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea?
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea has a molecular weight of 312.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea is sourced from PubChem (CID 94594281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).