5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide

C16H12ClN3O3 — CID 7893868

IUPAC5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
SMILESN#Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1
InChIInChI=1S/C16H12ClN3O3/c17-11-3-6-14(13(7-11)16(19)22)23-9-15(21)20-12-4-1-10(8-18)2-5-12/h1-7H,9H2,(H2,19,22)(H,20,21)
InChIKeyBMBJFFJHONQEJI-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.33
Rot. Bonds5

About 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide

5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide (PubChem CID 7893868) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
PubChem CID7893868
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
SMILESN#Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1
InChIInChI=1S/C16H12ClN3O3/c17-11-3-6-14(13(7-11)16(19)22)23-9-15(21)20-12-4-1-10(8-18)2-5-12/h1-7H,9H2,(H2,19,22)(H,20,21)
InChIKeyBMBJFFJHONQEJI-UHFFFAOYSA-N
XLogP2.33
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615023
[2-(4-cyanoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864602
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
CID 7893862
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide
CID 46607988
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide (CID 7893868) is 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide is N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1.
What is the InChIKey of 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
The InChIKey is BMBJFFJHONQEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-11-3-6-14(13(7-11)16(19)22)23-9-15(21)20-12-4-1-10(8-18)2-5-12/h1-7H,9H2,(H2,19,22)(H,20,21).
What are the key properties of 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide?
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide has a molecular weight of 329.74 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 7893868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).