5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide

C14H11N3O3 — CID 110700002

IUPAC5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2)o1
InChIInChI=1S/C14H11N3O3/c1-9(18)16-13-6-5-12(20-13)14(19)17-11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H,16,18)(H,17,19)
InChIKeyBVLCTOCGAZKLPA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.36
Rot. Bonds3

About 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide

5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide (PubChem CID 110700002) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
PubChem CID110700002
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2)o1
InChIInChI=1S/C14H11N3O3/c1-9(18)16-13-6-5-12(20-13)14(19)17-11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H,16,18)(H,17,19)
InChIKeyBVLCTOCGAZKLPA-UHFFFAOYSA-N
XLogP2.36
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-(4-cyanophenyl)furan-2-carboxamide
CID 110700003
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383906
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539
5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 110699992
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide?
The IUPAC name of 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide (CID 110700002) is 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2cccc(C#N)c2)o1.
What is the InChIKey of 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide?
The InChIKey is BVLCTOCGAZKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9(18)16-13-6-5-12(20-13)14(19)17-11-4-2-3-10(7-11)8-15/h2-7H,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide?
5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide is sourced from PubChem (CID 110700002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).