2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide

C17H14ClN3O4 — CID 25491912

IUPAC2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C17H14ClN3O4/c1-24-14-4-2-3-12(17(20)23)16(14)25-9-15(22)21-11-6-5-10(8-19)13(18)7-11/h2-7H,9H2,1H3,(H2,20,23)(H,21,22)
InChIKeyILRDAXHJJXMPPH-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.34
Rot. Bonds6

About 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide

2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide (PubChem CID 25491912) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide
PubChem CID25491912
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C17H14ClN3O4/c1-24-14-4-2-3-12(17(20)23)16(14)25-9-15(22)21-11-6-5-10(8-19)13(18)7-11/h2-7H,9H2,1H3,(H2,20,23)(H,21,22)
InChIKeyILRDAXHJJXMPPH-UHFFFAOYSA-N
XLogP2.34
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 8020366
2-(2-acetylnaphthalen-1-yl)oxy-N-(3-chloro-4-cyanophenyl)acetamide
CID 4785529
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856589
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
2-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 46796577
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014067
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840025
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methylbenzoate
CID 8708615
N-(4-amino-3,5-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 51193233
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927109

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide?
The IUPAC name of 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide (CID 25491912) is 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide.
What is the SMILES notation for 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide?
The canonical SMILES for 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide is COc1cccc(C(N)=O)c1OCC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide?
The InChIKey is ILRDAXHJJXMPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-24-14-4-2-3-12(17(20)23)16(14)25-9-15(22)21-11-6-5-10(8-19)13(18)7-11/h2-7H,9H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide?
2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide has a molecular weight of 359.77 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-cyanoanilino)-2-oxoethoxy]-3-methoxybenzamide is sourced from PubChem (CID 25491912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).