N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide

C10H12F2N2O — CID 61350833

IUPACN-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1c(F)cccc1F
InChIInChI=1S/C10H12F2N2O/c1-14(6-5-13)10(15)9-7(11)3-2-4-8(9)12/h2-4H,5-6,13H2,1H3
InChIKeyUWZVOBOLTGJFTL-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.00
Rot. Bonds3

About N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide

N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide (PubChem CID 61350833) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
PubChem CID61350833
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1c(F)cccc1F
InChIInChI=1S/C10H12F2N2O/c1-14(6-5-13)10(15)9-7(11)3-2-4-8(9)12/h2-4H,5-6,13H2,1H3
InChIKeyUWZVOBOLTGJFTL-UHFFFAOYSA-N
XLogP1.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide (CID 61350833) is N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide is CN(CCN)C(=O)c1c(F)cccc1F.
What is the InChIKey of N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide?
The InChIKey is UWZVOBOLTGJFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-14(6-5-13)10(15)9-7(11)3-2-4-8(9)12/h2-4H,5-6,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide?
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide has a molecular weight of 214.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 61350833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).