N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide

C20H16ClFN2O — CID 1241672

IUPACN-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H16ClFN2O/c21-17-9-6-10-18(22)16(17)13-20(25)24(19-11-4-5-12-23-19)14-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyNCGAPPGOQWZYDS-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.65
Rot. Bonds5

About N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide

N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide (PubChem CID 1241672) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide
PubChem CID1241672
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC NameN-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1c(F)cccc1Cl)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H16ClFN2O/c21-17-9-6-10-18(22)16(17)13-20(25)24(19-11-4-5-12-23-19)14-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyNCGAPPGOQWZYDS-UHFFFAOYSA-N
XLogP4.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide (CID 1241672) is N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide is O=C(Cc1c(F)cccc1Cl)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is NCGAPPGOQWZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-17-9-6-10-18(22)16(17)13-20(25)24(19-11-4-5-12-23-19)14-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide?
N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide has a molecular weight of 354.81 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chloro-6-fluorophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1241672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).