3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide

C14H16ClF3N2O4 — CID 10523081

IUPAC3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)NCCCO)cc1Cl)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O4/c1-13(24,14(16,17)18)12(23)20-10-4-3-8(7-9(10)15)11(22)19-5-2-6-21/h3-4,7,21,24H,2,5-6H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyXPOQCGFJEGWPCZ-CYBMUJFWSA-N
MW368.74 g/mol
LogP1.70
Rot. Bonds6

About 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide

3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide (PubChem CID 10523081) has the molecular formula C14H16ClF3N2O4 and a molecular weight of 368.74 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
PubChem CID10523081
Molecular FormulaC14H16ClF3N2O4
Molecular Weight368.74 g/mol
Exact Mass368.08
IUPAC Name3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)NCCCO)cc1Cl)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O4/c1-13(24,14(16,17)18)12(23)20-10-4-3-8(7-9(10)15)11(22)19-5-2-6-21/h3-4,7,21,24H,2,5-6H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyXPOQCGFJEGWPCZ-CYBMUJFWSA-N
XLogP1.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The IUPAC name of 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide (CID 10523081) is 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide is C[C@@](O)(C(=O)Nc1ccc(C(=O)NCCCO)cc1Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The InChIKey is XPOQCGFJEGWPCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16ClF3N2O4/c1-13(24,14(16,17)18)12(23)20-10-4-3-8(7-9(10)15)11(22)19-5-2-6-21/h3-4,7,21,24H,2,5-6H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide has a molecular weight of 368.74 g/mol, XLogP of 1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxypropyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide is sourced from PubChem (CID 10523081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).