N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide

C13H16F3NO2 — CID 79749456

IUPACN-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-2-3-6-17(7-8-18)13(19)9-4-5-10(14)12(16)11(9)15/h4-5,18H,2-3,6-8H2,1H3
InChIKeyOCQTZLUUFSFUPI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.34
Rot. Bonds6

About N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide

N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 79749456) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
PubChem CID79749456
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3NO2/c1-2-3-6-17(7-8-18)13(19)9-4-5-10(14)12(16)11(9)15/h4-5,18H,2-3,6-8H2,1H3
InChIKeyOCQTZLUUFSFUPI-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-heptyl-N-octylbenzamide
CID 533120
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67489578
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
N-butyl-2,3,4-trifluoro-N-heptan-2-ylbenzamide
CID 91723493
1-butyl-3-(2,3-difluorophenyl)-1-(2-hydroxyethyl)urea
CID 110908507
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
N-butyl-N-(2-hydroxyethyl)-4-methylthiophene-3-carboxamide
CID 79808500
N-(cyanomethyl)-N-ethyl-2,3,4-trifluorobenzamide
CID 79017496
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide (CID 79749456) is N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide is CCCCN(CCO)C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is OCQTZLUUFSFUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-3-6-17(7-8-18)13(19)9-4-5-10(14)12(16)11(9)15/h4-5,18H,2-3,6-8H2,1H3.
What are the key properties of N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 79749456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).