N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide

C16H21F3N2O3 — CID 151632783

IUPACN-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CCCCCNC(=O)c1ccc(C(F)(F)F)cc1)NCCO
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)13-7-5-12(6-8-13)15(24)21-9-3-1-2-4-14(23)20-10-11-22/h5-8,22H,1-4,9-11H2,(H,20,23)(H,21,24)
InChIKeyQQWCVSCYRPSSQJ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.10
Rot. Bonds9

About N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide

N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide (PubChem CID 151632783) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide
PubChem CID151632783
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC NameN-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CCCCCNC(=O)c1ccc(C(F)(F)F)cc1)NCCO
InChIInChI=1S/C16H21F3N2O3/c17-16(18,19)13-7-5-12(6-8-13)15(24)21-9-3-1-2-4-14(23)20-10-11-22/h5-8,22H,1-4,9-11H2,(H,20,23)(H,21,24)
InChIKeyQQWCVSCYRPSSQJ-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(trifluoromethyl)benzamide
CID 108924365
N-hex-5-ynyl-4-(trifluoromethyl)benzamide
CID 103758068
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 66784650
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
CID 107908924
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide (CID 151632783) is N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide is O=C(CCCCCNC(=O)c1ccc(C(F)(F)F)cc1)NCCO.
What is the InChIKey of N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QQWCVSCYRPSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c17-16(18,19)13-7-5-12(6-8-13)15(24)21-9-3-1-2-4-14(23)20-10-11-22/h5-8,22H,1-4,9-11H2,(H,20,23)(H,21,24).
What are the key properties of N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide?
N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide has a molecular weight of 346.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyethylamino)-6-oxohexyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 151632783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).