2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide

C17H18F2N2O3 — CID 118769430

IUPAC2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(F)ccc2F)c(OCCN)c1
InChIInChI=1S/C17H18F2N2O3/c1-23-13-3-4-14(16(9-13)24-7-6-20)17(22)21-10-11-8-12(18)2-5-15(11)19/h2-5,8-9H,6-7,10,20H2,1H3,(H,21,22)
InChIKeyQTURZZRTKXBMLA-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.24
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide

2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 118769430) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
PubChem CID118769430
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(F)ccc2F)c(OCCN)c1
InChIInChI=1S/C17H18F2N2O3/c1-23-13-3-4-14(16(9-13)24-7-6-20)17(22)21-10-11-8-12(18)2-5-15(11)19/h2-5,8-9H,6-7,10,20H2,1H3,(H,21,22)
InChIKeyQTURZZRTKXBMLA-UHFFFAOYSA-N
XLogP2.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-N-[(2,5-dimethylphenyl)methyl]-4-methoxybenzamide
CID 118767250
2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
CID 119062916
N-[(2,5-difluorophenyl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63373922
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2-(2-aminoethoxy)-4-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 118763514
2-amino-N-[(2,5-difluorophenyl)methyl]-4,5-difluorobenzamide
CID 63794966
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide (CID 118769430) is 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc(F)ccc2F)c(OCCN)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is QTURZZRTKXBMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-23-13-3-4-14(16(9-13)24-7-6-20)17(22)21-10-11-8-12(18)2-5-15(11)19/h2-5,8-9H,6-7,10,20H2,1H3,(H,21,22).
What are the key properties of 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide?
2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 336.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 118769430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).