1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea

C16H22F2N2O3 — CID 99858558

IUPAC1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
SMILESO=C(NCCc1ccccc1OC(F)F)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C16H22F2N2O3/c17-15(18)23-14-8-4-1-5-11(14)9-10-19-16(22)20-12-6-2-3-7-13(12)21/h1,4-5,8,12-13,15,21H,2-3,6-7,9-10H2,(H2,19,20,22)/t12-,13+/m0/s1
InChIKeyFYMQRXIIABAKLR-QWHCGFSZSA-N
MW328.36 g/mol
LogP2.43
Rot. Bonds6

About 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea

1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea (PubChem CID 99858558) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
PubChem CID99858558
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea
SMILESO=C(NCCc1ccccc1OC(F)F)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C16H22F2N2O3/c17-15(18)23-14-8-4-1-5-11(14)9-10-19-16(22)20-12-6-2-3-7-13(12)21/h1,4-5,8,12-13,15,21H,2-3,6-7,9-10H2,(H2,19,20,22)/t12-,13+/m0/s1
InChIKeyFYMQRXIIABAKLR-QWHCGFSZSA-N
XLogP2.43
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea with MolForge

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Related Compounds

3-[2-[2-(difluoromethoxy)phenyl]ethylcarbamoylamino]propanoic acid
CID 122011386
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933179
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99858566
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97334344
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 112815547
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea (CID 99858558) is 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea is O=C(NCCc1ccccc1OC(F)F)N[C@H]1CCCC[C@H]1O.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea?
The InChIKey is FYMQRXIIABAKLR-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c17-15(18)23-14-8-4-1-5-11(14)9-10-19-16(22)20-12-6-2-3-7-13(12)21/h1,4-5,8,12-13,15,21H,2-3,6-7,9-10H2,(H2,19,20,22)/t12-,13+/m0/s1.
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea?
1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea has a molecular weight of 328.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]ethyl]-3-[(1S,2R)-2-hydroxycyclohexyl]urea is sourced from PubChem (CID 99858558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).