1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea

C16H21F3N2O3 — CID 111104097

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCC(F)(F)F)NCC1(O)CCCC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)11-24-13-6-2-1-5-12(13)9-20-14(22)21-10-15(23)7-3-4-8-15/h1-2,5-6,23H,3-4,7-11H2,(H2,20,21,22)
InChIKeyZPFNTBGNALYYMY-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.73
Rot. Bonds6

About 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea (PubChem CID 111104097) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
PubChem CID111104097
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCC(F)(F)F)NCC1(O)CCCC1
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)11-24-13-6-2-1-5-12(13)9-20-14(22)21-10-15(23)7-3-4-8-15/h1-2,5-6,23H,3-4,7-11H2,(H2,20,21,22)
InChIKeyZPFNTBGNALYYMY-UHFFFAOYSA-N
XLogP2.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
(2S)-2-amino-3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 119744415
2-[2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenoxy]-N-methylacetamide
CID 110922665
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
1-[[2-[(tert-butylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208762
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea (CID 111104097) is 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OCC(F)(F)F)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
The InChIKey is ZPFNTBGNALYYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)11-24-13-6-2-1-5-12(13)9-20-14(22)21-10-15(23)7-3-4-8-15/h1-2,5-6,23H,3-4,7-11H2,(H2,20,21,22).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea has a molecular weight of 346.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111104097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).