2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide

C18H17N3O2 — CID 108922788

IUPAC2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2cccc(NC(=O)CC#N)c2)c1
InChIInChI=1S/C18H17N3O2/c1-13-4-2-5-14(10-13)11-18(23)21-16-7-3-6-15(12-16)20-17(22)8-9-19/h2-7,10,12H,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyKNZPDQNKRWXKIK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.03
Rot. Bonds5

About 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide

2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide (PubChem CID 108922788) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
PubChem CID108922788
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2cccc(NC(=O)CC#N)c2)c1
InChIInChI=1S/C18H17N3O2/c1-13-4-2-5-14(10-13)11-18(23)21-16-7-3-6-15(12-16)20-17(22)8-9-19/h2-7,10,12H,8,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyKNZPDQNKRWXKIK-UHFFFAOYSA-N
XLogP3.03
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
N-[4-[[2-(3-chlorophenyl)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922593
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide (CID 108922788) is 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide is Cc1cccc(CC(=O)Nc2cccc(NC(=O)CC#N)c2)c1.
What is the InChIKey of 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
The InChIKey is KNZPDQNKRWXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-4-2-5-14(10-13)11-18(23)21-16-7-3-6-15(12-16)20-17(22)8-9-19/h2-7,10,12H,8,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 108922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).