(2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide

C19H14F6N2O2 — CID 87768711

IUPAC(2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide
SMILESCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C19H14F6N2O2/c1-29-16(17(28)27-10-12-4-2-11(9-26)3-5-12)14-7-6-13(18(20,21)22)8-15(14)19(23,24)25/h2-8,16H,10H2,1H3,(H,27,28)/t16-/m0/s1
InChIKeyBLJOFOMLEBMAPN-INIZCTEOSA-N
MW416.32 g/mol
LogP4.60
Rot. Bonds5

About (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide

(2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide (PubChem CID 87768711) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound Name(2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide
PubChem CID87768711
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC Name(2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide
SMILESCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C19H14F6N2O2/c1-29-16(17(28)27-10-12-4-2-11(9-26)3-5-12)14-7-6-13(18(20,21)22)8-15(14)19(23,24)25/h2-8,16H,10H2,1H3,(H,27,28)/t16-/m0/s1
InChIKeyBLJOFOMLEBMAPN-INIZCTEOSA-N
XLogP4.60
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide (CID 87768711) is (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide is CO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide?
The InChIKey is BLJOFOMLEBMAPN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-29-16(17(28)27-10-12-4-2-11(9-26)3-5-12)14-7-6-13(18(20,21)22)8-15(14)19(23,24)25/h2-8,16H,10H2,1H3,(H,27,28)/t16-/m0/s1.
What are the key properties of (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide?
(2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide has a molecular weight of 416.32 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,4-bis(trifluoromethyl)phenyl]-N-[(4-cyanophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 87768711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).