1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

C14H17F3N2O3 — CID 110895478

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OC(F)(F)F)N(CCO)C1CC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-4-2-1-3-10(12)9-18-13(21)19(7-8-20)11-5-6-11/h1-4,11,20H,5-9H2,(H,18,21)
InChIKeyBHRMUOUQCPZSLP-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.25
Rot. Bonds6

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 110895478) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID110895478
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OC(F)(F)F)N(CCO)C1CC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-4-2-1-3-10(12)9-18-13(21)19(7-8-20)11-5-6-11/h1-4,11,20H,5-9H2,(H,18,21)
InChIKeyBHRMUOUQCPZSLP-UHFFFAOYSA-N
XLogP2.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
CID 110896011
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146134402
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51286450

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 110895478) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OC(F)(F)F)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is BHRMUOUQCPZSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-4-2-1-3-10(12)9-18-13(21)19(7-8-20)11-5-6-11/h1-4,11,20H,5-9H2,(H,18,21).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 318.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 110895478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).