N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide

C14H13N3O2 — CID 115652476

IUPACN-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1
InChIInChI=1S/C14H13N3O2/c1-10(18)17-12-4-2-3-11(7-12)16-9-14-6-5-13(8-15)19-14/h2-7,16H,9H2,1H3,(H,17,18)
InChIKeyGLGUKDCMCWJPSS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.72
Rot. Bonds4

About N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide

N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide (PubChem CID 115652476) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
PubChem CID115652476
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1
InChIInChI=1S/C14H13N3O2/c1-10(18)17-12-4-2-3-11(7-12)16-9-14-6-5-13(8-15)19-14/h2-7,16H,9H2,1H3,(H,17,18)
InChIKeyGLGUKDCMCWJPSS-UHFFFAOYSA-N
XLogP2.72
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide
CID 115652550
2-[3-[(5-cyanofuran-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 115652577
N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115652546
5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
CID 115652501
N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
CID 114479664
N-[3-[(5-cyanofuran-2-yl)methylamino]-2-methylphenyl]propanamide
CID 115742778
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743185
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
5-[(3,4-diethoxyanilino)methyl]furan-2-carbonitrile
CID 115671135
5-[(4-bromoanilino)methyl]furan-2-carbonitrile
CID 115909240
5-[(4-chloro-3-fluoroanilino)methyl]furan-2-carbonitrile
CID 113481534

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide (CID 115652476) is N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2ccc(C#N)o2)c1.
What is the InChIKey of N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide?
The InChIKey is GLGUKDCMCWJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-10(18)17-12-4-2-3-11(7-12)16-9-14-6-5-13(8-15)19-14/h2-7,16H,9H2,1H3,(H,17,18).
What are the key properties of N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide?
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 115652476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).