4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide

C22H25ClN2O3 — CID 31974383

IUPAC4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3/c1-3-14-25(15-21(27)24-19-7-5-4-6-16(19)2)22(28)13-12-20(26)17-8-10-18(23)11-9-17/h4-11H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyZNEBRAHADLJLFA-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.49
Rot. Bonds9

About 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide

4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide (PubChem CID 31974383) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
PubChem CID31974383
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H25ClN2O3/c1-3-14-25(15-21(27)24-19-7-5-4-6-16(19)2)22(28)13-12-20(26)17-8-10-18(23)11-9-17/h4-11H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyZNEBRAHADLJLFA-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
2-[[2-(4-chloro-2-nitrophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 27267674
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide (CID 31974383) is 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide?
The InChIKey is ZNEBRAHADLJLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-3-14-25(15-21(27)24-19-7-5-4-6-16(19)2)22(28)13-12-20(26)17-8-10-18(23)11-9-17/h4-11H,3,12-15H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide?
4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide has a molecular weight of 400.91 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide is sourced from PubChem (CID 31974383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).