N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide

C21H22ClN3O3 — CID 16552134

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C21H22ClN3O3/c1-4-25(13-20(26)24-19-11-17(22)8-5-14(19)2)21(27)15(3)28-18-9-6-16(12-23)7-10-18/h5-11,15H,4,13H2,1-3H3,(H,24,26)
InChIKeyOFCOKOLSZKHQID-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide (PubChem CID 16552134) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide
PubChem CID16552134
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C21H22ClN3O3/c1-4-25(13-20(26)24-19-11-17(22)8-5-14(19)2)21(27)15(3)28-18-9-6-16(12-23)7-10-18/h5-11,15H,4,13H2,1-3H3,(H,24,26)
InChIKeyOFCOKOLSZKHQID-UHFFFAOYSA-N
XLogP3.77
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
[2-(2,4-dichloroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984198
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636423
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
CID 8599257
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8793283
2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide
CID 55584576
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide (CID 16552134) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide?
The InChIKey is OFCOKOLSZKHQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-4-25(13-20(26)24-19-11-17(22)8-5-14(19)2)21(27)15(3)28-18-9-6-16(12-23)7-10-18/h5-11,15H,4,13H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide has a molecular weight of 399.88 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(4-cyanophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 16552134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).