2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

C18H14ClN3O3 — CID 5302279

IUPAC2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H14ClN3O3/c19-11-5-7-12(8-6-11)21-16(23)10-22-9-14(17(24)18(20)25)13-3-1-2-4-15(13)22/h1-9H,10H2,(H2,20,25)(H,21,23)
InChIKeyOTMUDLKZJXNVSE-UHFFFAOYSA-N
MW355.78 g/mol
LogP2.60
Rot. Bonds5

About 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide

2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (PubChem CID 5302279) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
PubChem CID5302279
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H14ClN3O3/c19-11-5-7-12(8-6-11)21-16(23)10-22-9-14(17(24)18(20)25)13-3-1-2-4-15(13)22/h1-9H,10H2,(H2,20,25)(H,21,23)
InChIKeyOTMUDLKZJXNVSE-UHFFFAOYSA-N
XLogP2.60
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
CID 1004063
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
methyl 1-[2-oxo-2-[4-(phenylcarbamoylamino)anilino]ethyl]indole-3-carboxylate
CID 46553530
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30561207
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 4027629
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide (CID 5302279) is 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is NC(=O)C(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
The InChIKey is OTMUDLKZJXNVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-11-5-7-12(8-6-11)21-16(23)10-22-9-14(17(24)18(20)25)13-3-1-2-4-15(13)22/h1-9H,10H2,(H2,20,25)(H,21,23).
What are the key properties of 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide?
2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide has a molecular weight of 355.78 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 5302279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).