3-amino-2-[2-(furan-2-yl)ethylamino]benzamide

C13H15N3O2 — CID 112578443

IUPAC3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
SMILESNC(=O)c1cccc(N)c1NCCc1ccco1
InChIInChI=1S/C13H15N3O2/c14-11-5-1-4-10(13(15)17)12(11)16-7-6-9-3-2-8-18-9/h1-5,8,16H,6-7,14H2,(H2,15,17)
InChIKeyHHCZUKXEFKYXNZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide

3-amino-2-[2-(furan-2-yl)ethylamino]benzamide (PubChem CID 112578443) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
PubChem CID112578443
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-amino-2-[2-(furan-2-yl)ethylamino]benzamide
SMILESNC(=O)c1cccc(N)c1NCCc1ccco1
InChIInChI=1S/C13H15N3O2/c14-11-5-1-4-10(13(15)17)12(11)16-7-6-9-3-2-8-18-9/h1-5,8,16H,6-7,14H2,(H2,15,17)
InChIKeyHHCZUKXEFKYXNZ-UHFFFAOYSA-N
XLogP1.62
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
3-amino-2-(5,5,5-trifluoropentylamino)benzamide
CID 112579360
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
methyl 3-amino-2-(furan-2-ylmethylamino)benzoate
CID 112577605
3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
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
3-amino-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 112579298
2-[2-(furan-2-yl)ethylamino]pyridine-3-carbothioamide
CID 54954281
3-amino-2-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 112578046
3-amino-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzamide
CID 112579002

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide?
The IUPAC name of 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide (CID 112578443) is 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide.
What is the SMILES notation for 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide?
The canonical SMILES for 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide is NC(=O)c1cccc(N)c1NCCc1ccco1.
What is the InChIKey of 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide?
The InChIKey is HHCZUKXEFKYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-11-5-1-4-10(13(15)17)12(11)16-7-6-9-3-2-8-18-9/h1-5,8,16H,6-7,14H2,(H2,15,17).
What are the key properties of 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide?
3-amino-2-[2-(furan-2-yl)ethylamino]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(furan-2-yl)ethylamino]benzamide is sourced from PubChem (CID 112578443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).