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

C16H18ClF3N2O4 — CID 15482202

IUPAC3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H18ClF3N2O4/c1-15(25,16(18,19)20)14(24)22-12-5-4-9(7-11(12)17)13(23)21-8-10-3-2-6-26-10/h4-5,7,10,25H,2-3,6,8H2,1H3,(H,21,23)(H,22,24)/t10?,15-/m1/s1
InChIKeyGAFYAXXDUJHTEI-GENIYJEYSA-N
MW394.78 g/mol
LogP2.50
Rot. Bonds5

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

3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide (PubChem CID 15482202) has the molecular formula C16H18ClF3N2O4 and a molecular weight of 394.78 g/mol. Its IUPAC name is 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
PubChem CID15482202
Molecular FormulaC16H18ClF3N2O4
Molecular Weight394.78 g/mol
Exact Mass394.09
IUPAC Name3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1Cl)C(F)(F)F
InChIInChI=1S/C16H18ClF3N2O4/c1-15(25,16(18,19)20)14(24)22-12-5-4-9(7-11(12)17)13(23)21-8-10-3-2-6-26-10/h4-5,7,10,25H,2-3,6,8H2,1H3,(H,21,23)(H,22,24)/t10?,15-/m1/s1
InChIKeyGAFYAXXDUJHTEI-GENIYJEYSA-N
XLogP2.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.78
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide (CID 15482202) is 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide.
What is the SMILES notation for 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The canonical SMILES for 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide is C[C@@](O)(C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The InChIKey is GAFYAXXDUJHTEI-GENIYJEYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O4/c1-15(25,16(18,19)20)14(24)22-12-5-4-9(7-11(12)17)13(23)21-8-10-3-2-6-26-10/h4-5,7,10,25H,2-3,6,8H2,1H3,(H,21,23)(H,22,24)/t10?,15-/m1/s1.
What are the key properties of 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide has a molecular weight of 394.78 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxolan-2-ylmethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide is sourced from PubChem (CID 15482202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).