4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide

C13H14N2O3 — CID 60898863

IUPAC4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(O)c2ccco2)cc1
InChIInChI=1S/C13H14N2O3/c14-13(17)9-3-5-10(6-4-9)15-8-11(16)12-2-1-7-18-12/h1-7,11,15-16H,8H2,(H2,14,17)
InChIKeyKCWFRCGTTQHUPJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.52
Rot. Bonds5

About 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide

4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide (PubChem CID 60898863) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
PubChem CID60898863
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(O)c2ccco2)cc1
InChIInChI=1S/C13H14N2O3/c14-13(17)9-3-5-10(6-4-9)15-8-11(16)12-2-1-7-18-12/h1-7,11,15-16H,8H2,(H2,14,17)
InChIKeyKCWFRCGTTQHUPJ-UHFFFAOYSA-N
XLogP1.52
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
CID 60876825
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
4-[(2-amino-3-hydroxybutyl)amino]benzamide
CID 64541293
2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
CID 114260364
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63905154
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 43232712
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide?
The IUPAC name of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide (CID 60898863) is 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide?
The canonical SMILES for 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide is NC(=O)c1ccc(NCC(O)c2ccco2)cc1.
What is the InChIKey of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide?
The InChIKey is KCWFRCGTTQHUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-13(17)9-3-5-10(6-4-9)15-8-11(16)12-2-1-7-18-12/h1-7,11,15-16H,8H2,(H2,14,17).
What are the key properties of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide?
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide has a molecular weight of 246.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide is sourced from PubChem (CID 60898863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).