N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide

C10H14F2N2O2 — CID 107493394

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCN)CC(F)F)co1
InChIInChI=1S/C10H14F2N2O2/c1-7-4-8(6-16-7)10(15)14(3-2-13)5-9(11)12/h4,6,9H,2-3,5,13H2,1H3
InChIKeyBADIKCZFBBWXQD-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.25
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide (PubChem CID 107493394) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
PubChem CID107493394
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCN)CC(F)F)co1
InChIInChI=1S/C10H14F2N2O2/c1-7-4-8(6-16-7)10(15)14(3-2-13)5-9(11)12/h4,6,9H,2-3,5,13H2,1H3
InChIKeyBADIKCZFBBWXQD-UHFFFAOYSA-N
XLogP1.25
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-3-carboxamide
CID 107493245
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4-difluoro-5-methylbenzamide
CID 107493226
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
N-(2-aminoethyl)-N-(2,2-difluoroethyl)furan-2-carboxamide
CID 107493246
N,N,5-trimethylfuran-3-carboxamide
CID 45123510
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
CID 107493447
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978
2-[2-(dimethylamino)ethyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107424105
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide (CID 107493394) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)N(CCN)CC(F)F)co1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide?
The InChIKey is BADIKCZFBBWXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-7-4-8(6-16-7)10(15)14(3-2-13)5-9(11)12/h4,6,9H,2-3,5,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-3-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 1.25, 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-methylfuran-3-carboxamide is sourced from PubChem (CID 107493394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).