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

C10H14F2N2O2 — CID 107493288

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(CCN)CC(F)F)o1
InChIInChI=1S/C10H14F2N2O2/c1-7-2-3-8(16-7)10(15)14(5-4-13)6-9(11)12/h2-3,9H,4-6,13H2,1H3
InChIKeyMIWCOHICYNYVKI-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.25
Rot. Bonds5

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

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide (PubChem CID 107493288) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
PubChem CID107493288
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(CCN)CC(F)F)o1
InChIInChI=1S/C10H14F2N2O2/c1-7-2-3-8(16-7)10(15)14(5-4-13)6-9(11)12/h2-3,9H,4-6,13H2,1H3
InChIKeyMIWCOHICYNYVKI-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

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
Pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
CID 756940
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 2462607
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-(2-oxo-3-azepanyl)-2-furamide
CID 2813196

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide (CID 107493288) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N(CCN)CC(F)F)o1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide?
The InChIKey is MIWCOHICYNYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-7-2-3-8(16-7)10(15)14(5-4-13)6-9(11)12/h2-3,9H,4-6,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-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-2-carboxamide is sourced from PubChem (CID 107493288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).