1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea

C14H17F3N2O2 — CID 90499492

IUPAC1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O2/c1-13(21,9-2-3-9)8-18-12(20)19-11-6-4-10(5-7-11)14(15,16)17/h4-7,9,21H,2-3,8H2,1H3,(H2,18,19,20)
InChIKeyXMWWTJXIDQMXPY-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 90499492) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID90499492
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O2/c1-13(21,9-2-3-9)8-18-12(20)19-11-6-4-10(5-7-11)14(15,16)17/h4-7,9,21H,2-3,8H2,1H3,(H2,18,19,20)
InChIKeyXMWWTJXIDQMXPY-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-2-hydroxypropyl)-3-(4-ethoxyphenyl)urea
CID 52992812
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95981164
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63767514
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 67816843
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 90499492) is 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea is CC(O)(CNC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is XMWWTJXIDQMXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-13(21,9-2-3-9)8-18-12(20)19-11-6-4-10(5-7-11)14(15,16)17/h4-7,9,21H,2-3,8H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 302.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90499492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).