N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide

C13H15F3N2O3 — CID 110893263

IUPACN-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCO)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-8-3-4-9(7-10(8)13(14,15)16)18-12(21)11(20)17-5-2-6-19/h3-4,7,19H,2,5-6H2,1H3,(H,17,20)(H,18,21)
InChIKeyVHIYLOCGUICRBH-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.45
Rot. Bonds4

About N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide

N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide (PubChem CID 110893263) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
PubChem CID110893263
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCO)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-8-3-4-9(7-10(8)13(14,15)16)18-12(21)11(20)17-5-2-6-19/h3-4,7,19H,2,5-6H2,1H3,(H,17,20)(H,18,21)
InChIKeyVHIYLOCGUICRBH-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide 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'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
CID 110933503
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
N-(3-butoxypropyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108506520
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
1-(3-hydroxypropanoylamino)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 75457843

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide (CID 110893263) is N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCCO)cc1C(F)(F)F.
What is the InChIKey of N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is VHIYLOCGUICRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-8-3-4-9(7-10(8)13(14,15)16)18-12(21)11(20)17-5-2-6-19/h3-4,7,19H,2,5-6H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide?
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 304.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 110893263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).