N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide

C17H18ClFN2O2 — CID 2532920

IUPACN-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H18ClFN2O2/c1-21(10-12-5-3-4-6-16(12)23-2)11-17(22)20-15-8-7-13(18)9-14(15)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyULFXIZSNWSCHDK-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.56
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide

N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2532920) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID2532920
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H18ClFN2O2/c1-21(10-12-5-3-4-6-16(12)23-2)11-17(22)20-15-8-7-13(18)9-14(15)19/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyULFXIZSNWSCHDK-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide (CID 2532920) is N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide is COc1ccccc1CN(C)CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is ULFXIZSNWSCHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c1-21(10-12-5-3-4-6-16(12)23-2)11-17(22)20-15-8-7-13(18)9-14(15)19/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 336.79 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2532920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).