N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide

C12H14F4N2O — CID 107493226

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)N(CCN)CC(F)F)c(F)cc1F
InChIInChI=1S/C12H14F4N2O/c1-7-4-8(10(14)5-9(7)13)12(19)18(3-2-17)6-11(15)16/h4-5,11H,2-3,6,17H2,1H3
InChIKeyJAHMVJSXNXPBBQ-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.94
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide (PubChem CID 107493226) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
PubChem CID107493226
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
SMILESCc1cc(C(=O)N(CCN)CC(F)F)c(F)cc1F
InChIInChI=1S/C12H14F4N2O/c1-7-4-8(10(14)5-9(7)13)12(19)18(3-2-17)6-11(15)16/h4-5,11H,2-3,6,17H2,1H3
InChIKeyJAHMVJSXNXPBBQ-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
CID 107493394
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-ethoxybenzamide
CID 107493431
2,4-difluoro-5-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112696480
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-(2-cyanoethyl)-2,4-difluoro-5-methyl-N-propan-2-ylbenzamide
CID 112696491
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
CID 107477906
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 107493245

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide (CID 107493226) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide is Cc1cc(C(=O)N(CCN)CC(F)F)c(F)cc1F.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide?
The InChIKey is JAHMVJSXNXPBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-7-4-8(10(14)5-9(7)13)12(19)18(3-2-17)6-11(15)16/h4-5,11H,2-3,6,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide has a molecular weight of 278.25 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide is sourced from PubChem (CID 107493226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).