N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide

C16H16BrClFN3O — CID 56549597

IUPACN-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)c(Cl)c1)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C16H16BrClFN3O/c1-10(11-3-5-14(19)13(18)7-11)22(2)9-16(23)21-15-6-4-12(17)8-20-15/h3-8,10H,9H2,1-2H3,(H,20,21,23)
InChIKeyOHPXMZGNCCPPAP-UHFFFAOYSA-N
MW400.68 g/mol
LogP4.27
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide

N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide (PubChem CID 56549597) has the molecular formula C16H16BrClFN3O and a molecular weight of 400.68 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide
PubChem CID56549597
Molecular FormulaC16H16BrClFN3O
Molecular Weight400.68 g/mol
Exact Mass399.01
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1ccc(F)c(Cl)c1)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C16H16BrClFN3O/c1-10(11-3-5-14(19)13(18)7-11)22(2)9-16(23)21-15-6-4-12(17)8-20-15/h3-8,10H,9H2,1-2H3,(H,20,21,23)
InChIKeyOHPXMZGNCCPPAP-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.68
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide (CID 56549597) is N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide is CC(c1ccc(F)c(Cl)c1)N(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide?
The InChIKey is OHPXMZGNCCPPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN3O/c1-10(11-3-5-14(19)13(18)7-11)22(2)9-16(23)21-15-6-4-12(17)8-20-15/h3-8,10H,9H2,1-2H3,(H,20,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide has a molecular weight of 400.68 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[1-(3-chloro-4-fluorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 56549597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).