1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea

C14H17F3N2O2 — CID 111108610

IUPAC1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-11(8)19-13(21)18-7-12(20)9-3-2-4-10(6-9)14(15,16)17/h2-4,6,8,11-12,20H,5,7H2,1H3,(H2,18,19,21)
InChIKeyMBWCVVUXUHHWLB-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.45
Rot. Bonds4

About 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea

1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea (PubChem CID 111108610) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
PubChem CID111108610
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
SMILESCC1CC1NC(=O)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-11(8)19-13(21)18-7-12(20)9-3-2-4-10(6-9)14(15,16)17/h2-4,6,8,11-12,20H,5,7H2,1H3,(H2,18,19,21)
InChIKeyMBWCVVUXUHHWLB-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(1-methoxypropan-2-yl)urea
CID 111108807
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-[(1-methoxycyclobutyl)methyl]urea
CID 110019245
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 111108754
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propylsulfanylacetamide
CID 111108741
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea
CID 166200761

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea (CID 111108610) is 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea is CC1CC1NC(=O)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea?
The InChIKey is MBWCVVUXUHHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-5-11(8)19-13(21)18-7-12(20)9-3-2-4-10(6-9)14(15,16)17/h2-4,6,8,11-12,20H,5,7H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea?
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea has a molecular weight of 302.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 111108610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).