(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide

C16H17ClFN3O — CID 96508184

IUPAC(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C
InChIInChI=1S/C16H17ClFN3O/c1-10-6-5-9-19-15(10)20-16(22)14(21(2)3)13-11(17)7-4-8-12(13)18/h4-9,14H,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyHYTSOICURFHJRY-AWEZNQCLSA-N
MW321.78 g/mol
LogP3.42
Rot. Bonds4

About (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide

(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 96508184) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID96508184
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C
InChIInChI=1S/C16H17ClFN3O/c1-10-6-5-9-19-15(10)20-16(22)14(21(2)3)13-11(17)7-4-8-12(13)18/h4-9,14H,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyHYTSOICURFHJRY-AWEZNQCLSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide (CID 96508184) is (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)[C@H](c1c(F)cccc1Cl)N(C)C.
What is the InChIKey of (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is HYTSOICURFHJRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c1-10-6-5-9-19-15(10)20-16(22)14(21(2)3)13-11(17)7-4-8-12(13)18/h4-9,14H,1-3H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide?
(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 96508184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).