1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea

C14H17F3N2O3 — CID 111976217

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(CO)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O3/c1-13(8-20,9-2-3-9)19-12(21)18-10-4-6-11(7-5-10)22-14(15,16)17/h4-7,9,20H,2-3,8H2,1H3,(H2,18,19,21)
InChIKeySKFHSHCVDKACLX-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 111976217) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID111976217
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCC(CO)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H17F3N2O3/c1-13(8-20,9-2-3-9)19-12(21)18-10-4-6-11(7-5-10)22-14(15,16)17/h4-7,9,20H,2-3,8H2,1H3,(H2,18,19,21)
InChIKeySKFHSHCVDKACLX-UHFFFAOYSA-N
XLogP2.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
2-ethyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]butanoic acid
CID 139384591
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 110027288
N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
CID 111975992
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate
CID 95975305
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-ethyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoic acid
CID 139384617
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 111976217) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea is CC(CO)(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is SKFHSHCVDKACLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-13(8-20,9-2-3-9)19-12(21)18-10-4-6-11(7-5-10)22-14(15,16)17/h4-7,9,20H,2-3,8H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 318.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 111976217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).