N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide

C13H18F2N2O2 — CID 107493334

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCN)CC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-19-11-4-2-10(3-5-11)8-13(18)17(7-6-16)9-12(14)15/h2-5,12H,6-9,16H2,1H3
InChIKeyXOJILNNIVZLZLK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.29
Rot. Bonds7

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 107493334) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID107493334
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCN)CC(F)F)cc1
InChIInChI=1S/C13H18F2N2O2/c1-19-11-4-2-10(3-5-11)8-13(18)17(7-6-16)9-12(14)15/h2-5,12H,6-9,16H2,1H3
InChIKeyXOJILNNIVZLZLK-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 63287501
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107493239
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N'-(2,2-difluoroethyl)-N'-[2-(4-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 107494368
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 107477866

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide (CID 107493334) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N(CCN)CC(F)F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is XOJILNNIVZLZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-19-11-4-2-10(3-5-11)8-13(18)17(7-6-16)9-12(14)15/h2-5,12H,6-9,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 107493334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).