N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid

C19H20ClFN2O6 — CID 17401827

IUPACN-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H18ClFN2O2.C2H2O4/c1-21(10-12-3-6-14(23-2)7-4-12)11-17(22)20-16-9-13(18)5-8-15(16)19;3-1(4)2(5)6/h3-9H,10-11H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyOQUGNTQBUWVKKW-UHFFFAOYSA-N
MW426.83 g/mol
LogP2.71
Rot. Bonds6

About N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid

N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid (PubChem CID 17401827) has the molecular formula C19H20ClFN2O6 and a molecular weight of 426.83 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
PubChem CID17401827
Molecular FormulaC19H20ClFN2O6
Molecular Weight426.83 g/mol
Exact Mass426.10
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
SMILESCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H18ClFN2O2.C2H2O4/c1-21(10-12-3-6-14(23-2)7-4-12)11-17(22)20-16-9-13(18)5-8-15(16)19;3-1(4)2(5)6/h3-9H,10-11H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyOQUGNTQBUWVKKW-UHFFFAOYSA-N
XLogP2.71
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.83
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
N-(5-chloro-2-fluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221530
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8793283
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761278
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid (CID 17401827) is N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid is COc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2F)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid?
The InChIKey is OQUGNTQBUWVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2.C2H2O4/c1-21(10-12-3-6-14(23-2)7-4-12)11-17(22)20-16-9-13(18)5-8-15(16)19;3-1(4)2(5)6/h3-9H,10-11H2,1-2H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid?
N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid has a molecular weight of 426.83 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid is sourced from PubChem (CID 17401827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).