1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea

C16H22F2N2O2 — CID 111503713

IUPAC1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCC(NC(=O)NCC1CCCC(O)C1)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-10(14-6-5-12(17)8-15(14)18)20-16(22)19-9-11-3-2-4-13(21)7-11/h5-6,8,10-11,13,21H,2-4,7,9H2,1H3,(H2,19,20,22)
InChIKeyGBACFFUWBPIVJQ-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea

1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111503713) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111503713
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESCC(NC(=O)NCC1CCCC(O)C1)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2N2O2/c1-10(14-6-5-12(17)8-15(14)18)20-16(22)19-9-11-3-2-4-13(21)7-11/h5-6,8,10-11,13,21H,2-4,7,9H2,1H3,(H2,19,20,22)
InChIKeyGBACFFUWBPIVJQ-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505700
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505263
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99843267
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
1-[1-(2,4-difluorophenyl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936421
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504897
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(3-hydroxycyclopentyl)methyl]urea
CID 91651956

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111503713) is 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea is CC(NC(=O)NCC1CCCC(O)C1)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is GBACFFUWBPIVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-10(14-6-5-12(17)8-15(14)18)20-16(22)19-9-11-3-2-4-13(21)7-11/h5-6,8,10-11,13,21H,2-4,7,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea?
1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 312.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111503713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).