1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea

C16H23F3N2O2 — CID 110024617

IUPAC1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCCC(O)CCNC(=O)NC(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-3-13(22)8-9-20-15(23)21-11(2)10-12-6-4-5-7-14(12)16(17,18)19/h4-7,11,13,22H,3,8-10H2,1-2H3,(H2,20,21,23)
InChIKeyQPEOYQLOTXESAJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.10
Rot. Bonds7

About 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea

1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea (PubChem CID 110024617) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
PubChem CID110024617
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
SMILESCCC(O)CCNC(=O)NC(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H23F3N2O2/c1-3-13(22)8-9-20-15(23)21-11(2)10-12-6-4-5-7-14(12)16(17,18)19/h4-7,11,13,22H,3,8-10H2,1-2H3,(H2,20,21,23)
InChIKeyQPEOYQLOTXESAJ-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]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

4-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoylamino]butanoic acid
CID 122009480
1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505163
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
CID 97087860
2-(methylsulfamoyl)-N-[(2S)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 97347801
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
5-[1-[2-(trifluoromethyl)phenyl]propan-2-ylcarbamoyl]thiophene-2-carboxylic acid
CID 120552775
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 125137281
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 110019212
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea (CID 110024617) is 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea is CCC(O)CCNC(=O)NC(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
The InChIKey is QPEOYQLOTXESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-13(22)8-9-20-15(23)21-11(2)10-12-6-4-5-7-14(12)16(17,18)19/h4-7,11,13,22H,3,8-10H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea?
1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea has a molecular weight of 332.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypentyl)-3-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 110024617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).