(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide

C18H19ClFN3O2 — CID 99783869

IUPAC(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(C)[C@@H](C(=O)N(C)Cc1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFN3O2/c1-12(24)23(3)17(16-14(19)8-6-9-15(16)20)18(25)22(2)11-13-7-4-5-10-21-13/h4-10,17H,11H2,1-3H3/t17-/m1/s1
InChIKeyWJOUYOIQQLZSJA-QGZVFWFLSA-N
MW363.82 g/mol
LogP3.05
Rot. Bonds5

About (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide

(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 99783869) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID99783869
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(C)[C@@H](C(=O)N(C)Cc1ccccn1)c1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFN3O2/c1-12(24)23(3)17(16-14(19)8-6-9-15(16)20)18(25)22(2)11-13-7-4-5-10-21-13/h4-10,17H,11H2,1-3H3/t17-/m1/s1
InChIKeyWJOUYOIQQLZSJA-QGZVFWFLSA-N
XLogP3.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide (CID 99783869) is (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(C)[C@@H](C(=O)N(C)Cc1ccccn1)c1c(F)cccc1Cl.
What is the InChIKey of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WJOUYOIQQLZSJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-12(24)23(3)17(16-14(19)8-6-9-15(16)20)18(25)22(2)11-13-7-4-5-10-21-13/h4-10,17H,11H2,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide?
(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 363.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 99783869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).