N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide

C17H18F2N2O2 — CID 109000990

IUPACN-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(CCNCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-23-13-5-2-4-12(10-13)8-9-20-11-16(22)21-17-14(18)6-3-7-15(17)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeySJCJTRLHYBFPLH-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.74
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide

N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide (PubChem CID 109000990) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
PubChem CID109000990
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
SMILESCOc1cccc(CCNCC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H18F2N2O2/c1-23-13-5-2-4-12(10-13)8-9-20-11-16(22)21-17-14(18)6-3-7-15(17)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeySJCJTRLHYBFPLH-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025741
N-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001267
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000966
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000949
N-(2,6-difluorophenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025996
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide (CID 109000990) is N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide is COc1cccc(CCNCC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
The InChIKey is SJCJTRLHYBFPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-23-13-5-2-4-12(10-13)8-9-20-11-16(22)21-17-14(18)6-3-7-15(17)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide?
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide has a molecular weight of 320.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109000990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).