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

C14H17F3N2O2 — CID 71787561

IUPAC1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCC(O)C1CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-2-1-3-11(8-10)19-13(21)18-7-6-12(20)9-4-5-9/h1-3,8-9,12,20H,4-7H2,(H2,18,19,21)
InChIKeyHECAALIVWFYAOR-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.99
Rot. Bonds5

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

1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 71787561) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID71787561
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NCCC(O)C1CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-2-1-3-11(8-10)19-13(21)18-7-6-12(20)9-4-5-9/h1-3,8-9,12,20H,4-7H2,(H2,18,19,21)
InChIKeyHECAALIVWFYAOR-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
4-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 28511821
1-but-3-enyl-3-[3-(trifluoromethyl)phenyl]urea
CID 113466196
1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
CID 99997106
1-(2-hydroxy-3-methylbutyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 115645016
1-(6-aminohexyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 107844330
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112973376
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-[3-(2,6-dimethylphenoxy)propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108881565
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 115456909

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 71787561) is 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(NCCC(O)C1CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is HECAALIVWFYAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-2-1-3-11(8-10)19-13(21)18-7-6-12(20)9-4-5-9/h1-3,8-9,12,20H,4-7H2,(H2,18,19,21).
What are the key properties of 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 302.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71787561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).