N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide

C14H16F2N2O2 — CID 107493354

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(CCN)CC(F)F)cc2c1
InChIInChI=1S/C14H16F2N2O2/c1-9-2-3-11-10(6-9)7-12(20-11)14(19)18(5-4-17)8-13(15)16/h2-3,6-7,13H,4-5,8,17H2,1H3
InChIKeyGXQGOYOQVYDGTH-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.41
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 107493354) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID107493354
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(CCN)CC(F)F)cc2c1
InChIInChI=1S/C14H16F2N2O2/c1-9-2-3-11-10(6-9)7-12(20-11)14(19)18(5-4-17)8-13(15)16/h2-3,6-7,13H,4-5,8,17H2,1H3
InChIKeyGXQGOYOQVYDGTH-UHFFFAOYSA-N
XLogP2.41
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
CID 107477915
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
N-(2-hydroxypropyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 62335366
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
N-(2-chloroethyl)-N,5-dimethyl-1-benzofuran-2-carboxamide
CID 63391619
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
3-methyl-1-(5-methyl-1-benzofuran-2-yl)pentan-1-one
CID 115808089
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
2-[methyl-(5-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 62627105

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide (CID 107493354) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(CCN)CC(F)F)cc2c1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GXQGOYOQVYDGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-9-2-3-11-10(6-9)7-12(20-11)14(19)18(5-4-17)8-13(15)16/h2-3,6-7,13H,4-5,8,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 2.41, 5 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)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 107493354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).