5-(benzylamino)furan-3-carboxamide

C12H12N2O2 — CID 130778643

IUPAC5-(benzylamino)furan-3-carboxamide
SMILESNC(=O)c1coc(NCc2ccccc2)c1
InChIInChI=1S/C12H12N2O2/c13-12(15)10-6-11(16-8-10)14-7-9-4-2-1-3-5-9/h1-6,8,14H,7H2,(H2,13,15)
InChIKeyOQBOIHTZWXTTSP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.99
Rot. Bonds4

About 5-(benzylamino)furan-3-carboxamide

5-(benzylamino)furan-3-carboxamide (PubChem CID 130778643) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(benzylamino)furan-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)furan-3-carboxamide
PubChem CID130778643
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(benzylamino)furan-3-carboxamide
SMILESNC(=O)c1coc(NCc2ccccc2)c1
InChIInChI=1S/C12H12N2O2/c13-12(15)10-6-11(16-8-10)14-7-9-4-2-1-3-5-9/h1-6,8,14H,7H2,(H2,13,15)
InChIKeyOQBOIHTZWXTTSP-UHFFFAOYSA-N
XLogP1.99
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate
CID 166209682
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
[4-(benzylamino)phenyl]urea
CID 43744943
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
5-(benzylamino)-1-methyltriazole-4-carboxamide
CID 12745324
benzene;benzylurea;hydrazine
CID 68793593
4-(2-phenylethyl)benzamide
CID 23130460
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
4-[(3-methylanilino)methyl]benzamide
CID 28564307
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)furan-3-carboxamide?
The IUPAC name of 5-(benzylamino)furan-3-carboxamide (CID 130778643) is 5-(benzylamino)furan-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)furan-3-carboxamide?
The canonical SMILES for 5-(benzylamino)furan-3-carboxamide is NC(=O)c1coc(NCc2ccccc2)c1.
What is the InChIKey of 5-(benzylamino)furan-3-carboxamide?
The InChIKey is OQBOIHTZWXTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-12(15)10-6-11(16-8-10)14-7-9-4-2-1-3-5-9/h1-6,8,14H,7H2,(H2,13,15).
What are the key properties of 5-(benzylamino)furan-3-carboxamide?
5-(benzylamino)furan-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)furan-3-carboxamide is sourced from PubChem (CID 130778643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).