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

C17H16ClF3N2O — CID 60514650

IUPACN-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClF3N2O/c1-10(13-7-11(19)3-5-15(13)20)23(2)9-17(24)22-12-4-6-16(21)14(18)8-12/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyRAIPAANTTXKTLY-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.39
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide (PubChem CID 60514650) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
PubChem CID60514650
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
SMILESCC(c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClF3N2O/c1-10(13-7-11(19)3-5-15(13)20)23(2)9-17(24)22-12-4-6-16(21)14(18)8-12/h3-8,10H,9H2,1-2H3,(H,22,24)
InChIKeyRAIPAANTTXKTLY-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide (CID 60514650) is N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide is CC(c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide?
The InChIKey is RAIPAANTTXKTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-10(13-7-11(19)3-5-15(13)20)23(2)9-17(24)22-12-4-6-16(21)14(18)8-12/h3-8,10H,9H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide has a molecular weight of 356.78 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 60514650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).