(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C15H16ClF3N2O4 — CID 10500024

IUPAC(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H16ClF3N2O4/c1-14(24,15(17,18)19)13(23)20-11-3-2-9(8-10(11)16)12(22)21-4-6-25-7-5-21/h2-3,8,24H,4-7H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyXNGVNSXRRADPSC-CQSZACIVSA-N
MW380.75 g/mol
LogP2.06
Rot. Bonds3

About (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 10500024) has the molecular formula C15H16ClF3N2O4 and a molecular weight of 380.75 g/mol. Its IUPAC name is (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID10500024
Molecular FormulaC15H16ClF3N2O4
Molecular Weight380.75 g/mol
Exact Mass380.08
IUPAC Name(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESC[C@@](O)(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1Cl)C(F)(F)F
InChIInChI=1S/C15H16ClF3N2O4/c1-14(24,15(17,18)19)13(23)20-11-3-2-9(8-10(11)16)12(22)21-4-6-25-7-5-21/h2-3,8,24H,4-7H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyXNGVNSXRRADPSC-CQSZACIVSA-N
XLogP2.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 10500024) is (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is C[C@@](O)(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1Cl)C(F)(F)F.
What is the InChIKey of (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is XNGVNSXRRADPSC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16ClF3N2O4/c1-14(24,15(17,18)19)13(23)20-11-3-2-9(8-10(11)16)12(22)21-4-6-25-7-5-21/h2-3,8,24H,4-7H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
(2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 380.75 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-chloro-4-(morpholine-4-carbonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10500024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).