1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

C14H19F3N2O3 — CID 111454167

IUPAC1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESCCC(CCO)NC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O3/c1-2-11(7-8-20)19-13(21)18-9-10-5-3-4-6-12(10)22-14(15,16)17/h3-6,11,20H,2,7-9H2,1H3,(H2,18,19,21)
InChIKeyAMLZOVJQNUSUTO-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.55
Rot. Bonds7

About 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 111454167) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID111454167
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESCCC(CCO)NC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2O3/c1-2-11(7-8-20)19-13(21)18-9-10-5-3-4-6-12(10)22-14(15,16)17/h3-6,11,20H,2,7-9H2,1H3,(H2,18,19,21)
InChIKeyAMLZOVJQNUSUTO-UHFFFAOYSA-N
XLogP2.55
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)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-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 94028861
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
1-(1-hydroxypentan-3-yl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475455
1-(1-hydroxypentan-3-yl)-3-[2-(2-methoxyphenyl)propyl]urea
CID 111455135
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 41406085
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 106348987
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86876901
1-(3-propan-2-yloxypropyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86925085
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 111454167) is 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is CCC(CCO)NC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is AMLZOVJQNUSUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-2-11(7-8-20)19-13(21)18-9-10-5-3-4-6-12(10)22-14(15,16)17/h3-6,11,20H,2,7-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 320.31 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111454167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).