4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

C15H20F3NO2 — CID 103915592

IUPAC4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-3-4-12-5-7-13(8-6-12)14(21)19(9-10-20)11-15(16,17)18/h5-8,20H,2-4,9-11H2,1H3
InChIKeyHCLCNVNCOXSLBH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.03
Rot. Bonds7

About 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103915592) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103915592
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-3-4-12-5-7-13(8-6-12)14(21)19(9-10-20)11-15(16,17)18/h5-8,20H,2-4,9-11H2,1H3
InChIKeyHCLCNVNCOXSLBH-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
4-butyl-N,N-diethylbenzamide
CID 60675001
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103857359
6-(dimethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 103857272
1-(4-butylphenyl)-2-hydroxyethanone
CID 95436919
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 103915592) is 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is CCCCc1ccc(C(=O)N(CCO)CC(F)(F)F)cc1.
What is the InChIKey of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is HCLCNVNCOXSLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-3-4-12-5-7-13(8-6-12)14(21)19(9-10-20)11-15(16,17)18/h5-8,20H,2-4,9-11H2,1H3.
What are the key properties of 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 303.32 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103915592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).