1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea

C14H20F3N3O2 — CID 111336804

IUPAC1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C14H20F3N3O2/c1-9(21)6-7-18-13(22)19-11-8-10(14(15,16)17)4-5-12(11)20(2)3/h4-5,8-9,21H,6-7H2,1-3H3,(H2,18,19,22)
InChIKeyIVKNVSVNRXJJTK-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea

1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea (PubChem CID 111336804) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
PubChem CID111336804
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C14H20F3N3O2/c1-9(21)6-7-18-13(22)19-11-8-10(14(15,16)17)4-5-12(11)20(2)3/h4-5,8-9,21H,6-7H2,1-3H3,(H2,18,19,22)
InChIKeyIVKNVSVNRXJJTK-UHFFFAOYSA-N
XLogP2.66
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)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

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78875043
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
4-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074518
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 108988234
1-(3-hydroxybutyl)-3-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]urea
CID 111337389
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 75434254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea (CID 111336804) is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea?
The InChIKey is IVKNVSVNRXJJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-9(21)6-7-18-13(22)19-11-8-10(14(15,16)17)4-5-12(11)20(2)3/h4-5,8-9,21H,6-7H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea?
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea has a molecular weight of 319.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111336804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).