2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide

C17H16N4O2 — CID 109010015

IUPAC2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H16N4O2/c1-12(22)20-15-8-6-14(7-9-15)19-11-17(23)21-16-5-3-2-4-13(16)10-18/h2-9,19H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeySAIWDQREASLKHM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.57
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide

2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide (PubChem CID 109010015) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
PubChem CID109010015
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H16N4O2/c1-12(22)20-15-8-6-14(7-9-15)19-11-17(23)21-16-5-3-2-4-13(16)10-18/h2-9,19H,11H2,1H3,(H,20,22)(H,21,23)
InChIKeySAIWDQREASLKHM-UHFFFAOYSA-N
XLogP2.57
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide
CID 8708644
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide (CID 109010015) is 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide is CC(=O)Nc1ccc(NCC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide?
The InChIKey is SAIWDQREASLKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(22)20-15-8-6-14(7-9-15)19-11-17(23)21-16-5-3-2-4-13(16)10-18/h2-9,19H,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide?
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 109010015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).