(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide

C24H20F6N2O2 — CID 42638432

IUPAC(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1cc(NC(=O)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C24H20F6N2O2/c1-13-8-15(6-7-31-13)20-5-4-19(12-21(20)34-3)32-22(33)14(2)16-9-17(23(25,26)27)11-18(10-16)24(28,29)30/h4-12,14H,1-3H3,(H,32,33)/t14-/m1/s1
InChIKeyIMGLBLLRKSZWAY-CQSZACIVSA-N
MW482.42 g/mol
LogP6.85
Rot. Bonds5

About (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide

(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 42638432) has the molecular formula C24H20F6N2O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID42638432
Molecular FormulaC24H20F6N2O2
Molecular Weight482.42 g/mol
Exact Mass482.14
IUPAC Name(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCOc1cc(NC(=O)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C24H20F6N2O2/c1-13-8-15(6-7-31-13)20-5-4-19(12-21(20)34-3)32-22(33)14(2)16-9-17(23(25,26)27)11-18(10-16)24(28,29)30/h4-12,14H,1-3H3,(H,32,33)/t14-/m1/s1
InChIKeyIMGLBLLRKSZWAY-CQSZACIVSA-N
XLogP6.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 42638432) is (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide is COc1cc(NC(=O)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1-c1ccnc(C)c1.
What is the InChIKey of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is IMGLBLLRKSZWAY-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20F6N2O2/c1-13-8-15(6-7-31-13)20-5-4-19(12-21(20)34-3)32-22(33)14(2)16-9-17(23(25,26)27)11-18(10-16)24(28,29)30/h4-12,14H,1-3H3,(H,32,33)/t14-/m1/s1.
What are the key properties of (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide?
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 482.42 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 42638432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).