2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide

C21H23ClN4O3 — CID 9168823

IUPAC2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H23ClN4O3/c1-3-10-26(13-20(27)24-17-6-4-5-7-19(17)29-2)14-21(28)25-18-11-16(22)9-8-15(18)12-23/h4-9,11H,3,10,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXRAFABWXFJZDQF-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.51
Rot. Bonds9

About 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide

2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 9168823) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID9168823
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C21H23ClN4O3/c1-3-10-26(13-20(27)24-17-6-4-5-7-19(17)29-2)14-21(28)25-18-11-16(22)9-8-15(18)12-23/h4-9,11H,3,10,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXRAFABWXFJZDQF-UHFFFAOYSA-N
XLogP3.51
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
N-(5-chloro-2-cyanophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699271
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 9438071
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
N-(5-chloro-2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9371265

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide (CID 9168823) is 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is XRAFABWXFJZDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-3-10-26(13-20(27)24-17-6-4-5-7-19(17)29-2)14-21(28)25-18-11-16(22)9-8-15(18)12-23/h4-9,11H,3,10,13-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 414.89 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9168823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).