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

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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).