1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea

C14H18ClFN2O2 — CID 110936278

IUPAC1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1(O)CCCCC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O2/c15-10-4-5-11(16)12(8-10)18-13(19)17-9-14(20)6-2-1-3-7-14/h4-5,8,20H,1-3,6-7,9H2,(H2,17,18,19)
InChIKeyWABBPWNXVMHKJM-UHFFFAOYSA-N
MW300.76 g/mol
LogP3.30
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea

1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 110936278) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID110936278
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1(O)CCCCC1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C14H18ClFN2O2/c15-10-4-5-11(16)12(8-10)18-13(19)17-9-14(20)6-2-1-3-7-14/h4-5,8,20H,1-3,6-7,9H2,(H2,17,18,19)
InChIKeyWABBPWNXVMHKJM-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide
CID 111435524
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435584
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
CID 114189607
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
N'-(5-bromo-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435537
1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea (CID 110936278) is 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea is O=C(NCC1(O)CCCCC1)Nc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is WABBPWNXVMHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-10-4-5-11(16)12(8-10)18-13(19)17-9-14(20)6-2-1-3-7-14/h4-5,8,20H,1-3,6-7,9H2,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea?
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 300.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 110936278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).