N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide

C19H16N4O2 — CID 113002030

IUPACN-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c20-10-13-5-7-15(8-6-13)23-19(25)12-22-18(24)9-14-11-21-17-4-2-1-3-16(14)17/h1-8,11,21H,9,12H2,(H,22,24)(H,23,25)
InChIKeyYWUZOCWLQFXQBB-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113002030) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113002030
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N4O2/c20-10-13-5-7-15(8-6-13)23-19(25)12-22-18(24)9-14-11-21-17-4-2-1-3-16(14)17/h1-8,11,21H,9,12H2,(H,22,24)(H,23,25)
InChIKeyYWUZOCWLQFXQBB-UHFFFAOYSA-N
XLogP2.34
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
N-(4-cyanophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 27161298
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 55788905
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide (CID 113002030) is N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide is N#Cc1ccc(NC(=O)CNC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is YWUZOCWLQFXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-10-13-5-7-15(8-6-13)23-19(25)12-22-18(24)9-14-11-21-17-4-2-1-3-16(14)17/h1-8,11,21H,9,12H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113002030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).