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

C15H18ClF3N2O4 — CID 10809954

IUPAC3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
SMILESCN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H18ClF3N2O4/c1-14(25,15(17,18)19)13(24)20-11-5-4-9(8-10(11)16)12(23)21(2)6-3-7-22/h4-5,8,22,25H,3,6-7H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyFKRPRKAKBURXTN-CQSZACIVSA-N
MW382.77 g/mol
LogP2.05
Rot. Bonds6

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

3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide (PubChem CID 10809954) has the molecular formula C15H18ClF3N2O4 and a molecular weight of 382.77 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
PubChem CID10809954
Molecular FormulaC15H18ClF3N2O4
Molecular Weight382.77 g/mol
Exact Mass382.09
IUPAC Name3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
SMILESCN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H18ClF3N2O4/c1-14(25,15(17,18)19)13(24)20-11-5-4-9(8-10(11)16)12(23)21(2)6-3-7-22/h4-5,8,22,25H,3,6-7H2,1-2H3,(H,20,24)/t14-/m1/s1
InChIKeyFKRPRKAKBURXTN-CQSZACIVSA-N
XLogP2.05
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The IUPAC name of 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide (CID 10809954) is 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The canonical SMILES for 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide is CN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
The InChIKey is FKRPRKAKBURXTN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClF3N2O4/c1-14(25,15(17,18)19)13(24)20-11-5-4-9(8-10(11)16)12(23)21(2)6-3-7-22/h4-5,8,22,25H,3,6-7H2,1-2H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide?
3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide has a molecular weight of 382.77 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxypropyl)-N-methyl-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide is sourced from PubChem (CID 10809954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).