5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide

C15H18ClN3O3 — CID 46607988

IUPAC5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C15H18ClN3O3/c1-9(2)15(3,8-17)19-13(20)7-22-12-5-4-10(16)6-11(12)14(18)21/h4-6,9H,7H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyNZHNEVGQLIEJFD-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.87
Rot. Bonds6

About 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide

5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide (PubChem CID 46607988) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide
PubChem CID46607988
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide
SMILESCC(C)C(C)(C#N)NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C15H18ClN3O3/c1-9(2)15(3,8-17)19-13(20)7-22-12-5-4-10(16)6-11(12)14(18)21/h4-6,9H,7H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyNZHNEVGQLIEJFD-UHFFFAOYSA-N
XLogP1.87
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579100
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
CID 46607912
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 75389379
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867798
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 8913145
N-benzyl-2-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7981594
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 112774909

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide (CID 46607988) is 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide is CC(C)C(C)(C#N)NC(=O)COc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide?
The InChIKey is NZHNEVGQLIEJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9(2)15(3,8-17)19-13(20)7-22-12-5-4-10(16)6-11(12)14(18)21/h4-6,9H,7H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide?
5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide has a molecular weight of 323.78 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 46607988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).