2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide

C12H10N4O2 — CID 5143928

IUPAC2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C12H10N4O2/c13-7-5-11(17)15-9-1-2-10(4-3-9)16-12(18)6-8-14/h1-4H,5-6H2,(H,15,17)(H,16,18)
InChIKeyRQFTUNRLTMXDJO-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.39
Rot. Bonds4

About 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide (PubChem CID 5143928) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
PubChem CID5143928
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C12H10N4O2/c13-7-5-11(17)15-9-1-2-10(4-3-9)16-12(18)6-8-14/h1-4H,5-6H2,(H,15,17)(H,16,18)
InChIKeyRQFTUNRLTMXDJO-UHFFFAOYSA-N
XLogP1.39
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
2-cyano-N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 168522198
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
N-[4-[(2-cyanoacetyl)amino]phenyl]-4-fluorobenzamide
CID 108922462
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide (CID 5143928) is 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide is N#CCC(=O)Nc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide?
The InChIKey is RQFTUNRLTMXDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-7-5-11(17)15-9-1-2-10(4-3-9)16-12(18)6-8-14/h1-4H,5-6H2,(H,15,17)(H,16,18).
What are the key properties of 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide?
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide has a molecular weight of 242.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 5143928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).