2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide

C22H26ClN3O3 — CID 24981669

IUPAC2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-3-14-26(15-20(27)25-19-11-7-4-8-16(19)2)21(28)12-13-24-22(29)17-9-5-6-10-18(17)23/h4-11H,3,12-15H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyYGRAKCBUIPQYTG-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.65
Rot. Bonds9

About 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide

2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide (PubChem CID 24981669) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
PubChem CID24981669
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O3/c1-3-14-26(15-20(27)25-19-11-7-4-8-16(19)2)21(28)12-13-24-22(29)17-9-5-6-10-18(17)23/h4-11H,3,12-15H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyYGRAKCBUIPQYTG-UHFFFAOYSA-N
XLogP3.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide (CID 24981669) is 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
The InChIKey is YGRAKCBUIPQYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-3-14-26(15-20(27)25-19-11-7-4-8-16(19)2)21(28)12-13-24-22(29)17-9-5-6-10-18(17)23/h4-11H,3,12-15H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24981669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).