N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide

C13H18F2N2O2 — CID 107493431

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCN)CC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-2-19-11-6-4-3-5-10(11)13(18)17(8-7-16)9-12(14)15/h3-6,12H,2,7-9,16H2,1H3
InChIKeyQFWCOLXZDZQHMH-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.75
Rot. Bonds7

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide (PubChem CID 107493431) 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-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
PubChem CID107493431
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)N(CCN)CC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-2-19-11-6-4-3-5-10(11)13(18)17(8-7-16)9-12(14)15/h3-6,12H,2,7-9,16H2,1H3
InChIKeyQFWCOLXZDZQHMH-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
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N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
N-(2-bromoethyl)-N-butyl-2-ethoxybenzamide
CID 80659573
2-(aminomethyl)-1-(2-ethoxyphenyl)-3-methylbutan-1-one
CID 116573817
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
CID 107493226
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide (CID 107493431) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)N(CCN)CC(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide?
The InChIKey is QFWCOLXZDZQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-19-11-6-4-3-5-10(11)13(18)17(8-7-16)9-12(14)15/h3-6,12H,2,7-9,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 1.75, 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-ethoxybenzamide is sourced from PubChem (CID 107493431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).