2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide

C19H18ClN3O3 — CID 38859069

IUPAC2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide
SMILESCc1cc(N(CCC#N)C(=O)COc2ccccc2C(N)=O)ccc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-13-11-14(7-8-16(13)20)23(10-4-9-21)18(24)12-26-17-6-3-2-5-15(17)19(22)25/h2-3,5-8,11H,4,10,12H2,1H3,(H2,22,25)
InChIKeyKFXMZLFSDXXVMR-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.07
Rot. Bonds7

About 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide

2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide (PubChem CID 38859069) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide
PubChem CID38859069
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide
SMILESCc1cc(N(CCC#N)C(=O)COc2ccccc2C(N)=O)ccc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-13-11-14(7-8-16(13)20)23(10-4-9-21)18(24)12-26-17-6-3-2-5-15(17)19(22)25/h2-3,5-8,11H,4,10,12H2,1H3,(H2,22,25)
InChIKeyKFXMZLFSDXXVMR-UHFFFAOYSA-N
XLogP3.07
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)acetamide
CID 112818988
N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 52569965
2-(2-chloro-4-fluorophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 43036548
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24572278
N-(2-cyanoethyl)-N-(4-methylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832719
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172524
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55998694
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 2-(tetrazol-1-yl)benzoate
CID 55467507
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 46665883
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 46808672
[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate
CID 46669797
2-(2-chloro-4-nitrophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 24569443

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide (CID 38859069) is 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide is Cc1cc(N(CCC#N)C(=O)COc2ccccc2C(N)=O)ccc1Cl.
What is the InChIKey of 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide?
The InChIKey is KFXMZLFSDXXVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13-11-14(7-8-16(13)20)23(10-4-9-21)18(24)12-26-17-6-3-2-5-15(17)19(22)25/h2-3,5-8,11H,4,10,12H2,1H3,(H2,22,25).
What are the key properties of 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide?
2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide has a molecular weight of 371.82 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 38859069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).