(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide

C18H19F2N3O2 — CID 97249858

IUPAC(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N3O2/c1-23(2)17(16-13(19)4-3-5-14(16)20)18(25)22-12-8-6-11(7-9-12)10-15(21)24/h3-9,17H,10H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyPMOGIQSWDJIWGA-KRWDZBQOSA-N
MW347.37 g/mol
LogP2.23
Rot. Bonds6

About (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide

(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide (PubChem CID 97249858) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide
PubChem CID97249858
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide
SMILESCN(C)[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N3O2/c1-23(2)17(16-13(19)4-3-5-14(16)20)18(25)22-12-8-6-11(7-9-12)10-15(21)24/h3-9,17H,10H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyPMOGIQSWDJIWGA-KRWDZBQOSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide?
The IUPAC name of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide (CID 97249858) is (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide.
What is the SMILES notation for (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide?
The canonical SMILES for (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide is CN(C)[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1c(F)cccc1F.
What is the InChIKey of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide?
The InChIKey is PMOGIQSWDJIWGA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-23(2)17(16-13(19)4-3-5-14(16)20)18(25)22-12-8-6-11(7-9-12)10-15(21)24/h3-9,17H,10H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide?
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-2-(2,6-difluorophenyl)-2-(dimethylamino)acetamide is sourced from PubChem (CID 97249858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).