N-(3,4-dicyanophenyl)acetamide

C10H7N3O — CID 12938829

IUPACN-(3,4-dicyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C10H7N3O/c1-7(14)13-10-3-2-8(5-11)9(4-10)6-12/h2-4H,1H3,(H,13,14)
InChIKeyREYCEEFBHWADHV-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.39
Rot. Bonds1

About N-(3,4-dicyanophenyl)acetamide

N-(3,4-dicyanophenyl)acetamide (PubChem CID 12938829) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)acetamide
PubChem CID12938829
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC NameN-(3,4-dicyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C10H7N3O/c1-7(14)13-10-3-2-8(5-11)9(4-10)6-12/h2-4H,1H3,(H,13,14)
InChIKeyREYCEEFBHWADHV-UHFFFAOYSA-N
XLogP1.39
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
3-(3,4-dicyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 107792663
4-tert-butyl-N-(3,4-dicyanophenyl)benzamide
CID 78843259
N-(3,4-dicyanophenyl)-3,5-dihydroxybenzamide
CID 103944403
1-(3,4-dicyanophenyl)-3-[3-[(3,4-dicyanophenyl)carbamoylamino]-4-methylphenyl]urea
CID 166823023
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582
N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 107790450
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
CID 97377775
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)acetamide?
The IUPAC name of N-(3,4-dicyanophenyl)acetamide (CID 12938829) is N-(3,4-dicyanophenyl)acetamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)acetamide?
The canonical SMILES for N-(3,4-dicyanophenyl)acetamide is CC(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of N-(3,4-dicyanophenyl)acetamide?
The InChIKey is REYCEEFBHWADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-7(14)13-10-3-2-8(5-11)9(4-10)6-12/h2-4H,1H3,(H,13,14).
What are the key properties of N-(3,4-dicyanophenyl)acetamide?
N-(3,4-dicyanophenyl)acetamide has a molecular weight of 185.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)acetamide is sourced from PubChem (CID 12938829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).