3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide

C13H14N2O3 — CID 113386431

IUPAC3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
SMILESNc1cccc(C(=O)NCCc2ccco2)c1O
InChIInChI=1S/C13H14N2O3/c14-11-5-1-4-10(12(11)16)13(17)15-7-6-9-3-2-8-18-9/h1-5,8,16H,6-7,14H2,(H,15,17)
InChIKeyDINSCHVDCAQKJO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide

3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide (PubChem CID 113386431) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
PubChem CID113386431
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
SMILESNc1cccc(C(=O)NCCc2ccco2)c1O
InChIInChI=1S/C13H14N2O3/c14-11-5-1-4-10(12(11)16)13(17)15-7-6-9-3-2-8-18-9/h1-5,8,16H,6-7,14H2,(H,15,17)
InChIKeyDINSCHVDCAQKJO-UHFFFAOYSA-N
XLogP1.54
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
5-fluoro-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 79883377
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
5-amino-2-fluoro-N-[2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103296184
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
CID 112578443
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 113400267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide (CID 113386431) is 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide is Nc1cccc(C(=O)NCCc2ccco2)c1O.
What is the InChIKey of 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide?
The InChIKey is DINSCHVDCAQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c14-11-5-1-4-10(12(11)16)13(17)15-7-6-9-3-2-8-18-9/h1-5,8,16H,6-7,14H2,(H,15,17).
What are the key properties of 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide?
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide has a molecular weight of 246.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 113386431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).