1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea

C17H23F3N2O2 — CID 71920819

IUPAC1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NC1CCC(CO)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-11(14-4-2-3-5-15(14)17(18,19)20)21-16(24)22-13-8-6-12(10-23)7-9-13/h2-5,11-13,23H,6-10H2,1H3,(H2,21,22,24)
InChIKeyRWWYCTACFZHBTC-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea

1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 71920819) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID71920819
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NC1CCC(CO)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-11(14-4-2-3-5-15(14)17(18,19)20)21-16(24)22-13-8-6-12(10-23)7-9-13/h2-5,11-13,23H,6-10H2,1H3,(H2,21,22,24)
InChIKeyRWWYCTACFZHBTC-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea with MolForge

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Related Compounds

1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797
N-cyclopropyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 115672845
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
2-chloro-N-cyclopropyl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 55048150
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 70760706
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
1-[(1S)-1-(2-fluorophenyl)ethyl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 51724727
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 71920819) is 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NC1CCC(CO)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is RWWYCTACFZHBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(14-4-2-3-5-15(14)17(18,19)20)21-16(24)22-13-8-6-12(10-23)7-9-13/h2-5,11-13,23H,6-10H2,1H3,(H2,21,22,24).
What are the key properties of 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 344.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)cyclohexyl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 71920819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).