1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea

C17H24ClFN2O2 — CID 111122934

IUPAC1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
SMILESCC(C)(CNC(=O)NC1CCC(O)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-17(2,14-8-3-11(19)9-15(14)18)10-20-16(23)21-12-4-6-13(22)7-5-12/h3,8-9,12-13,22H,4-7,10H2,1-2H3,(H2,20,21,23)
InChIKeyMMQXPUHFSFPETJ-UHFFFAOYSA-N
MW342.84 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea

1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 111122934) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID111122934
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
SMILESCC(C)(CNC(=O)NC1CCC(O)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-17(2,14-8-3-11(19)9-15(14)18)10-20-16(23)21-12-4-6-13(22)7-5-12/h3,8-9,12-13,22H,4-7,10H2,1-2H3,(H2,20,21,23)
InChIKeyMMQXPUHFSFPETJ-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 146131621
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786059
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71861151
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
(2S)-2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide
CID 119325004
N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine
CID 63038280
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111569104
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111569079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea (CID 111122934) is 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea is CC(C)(CNC(=O)NC1CCC(O)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is MMQXPUHFSFPETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-17(2,14-8-3-11(19)9-15(14)18)10-20-16(23)21-12-4-6-13(22)7-5-12/h3,8-9,12-13,22H,4-7,10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea?
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 342.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 111122934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).