4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide

C21H24Cl2N2O2 — CID 26198654

IUPAC4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-3-14-9-12-18(23)17(4-2)20(14)25-19(26)6-5-13-24-21(27)15-7-10-16(22)11-8-15/h7-12H,3-6,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyPTDBGAMERKOBMD-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.27
Rot. Bonds8

About 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide

4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide (PubChem CID 26198654) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
PubChem CID26198654
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N2O2/c1-3-14-9-12-18(23)17(4-2)20(14)25-19(26)6-5-13-24-21(27)15-7-10-16(22)11-8-15/h7-12H,3-6,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyPTDBGAMERKOBMD-UHFFFAOYSA-N
XLogP5.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 39768886
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
CID 18169010
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 26469275
4-chloro-N-[4-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-4-oxobutyl]benzamide
CID 24981133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide (CID 26198654) is 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
The InChIKey is PTDBGAMERKOBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-3-14-9-12-18(23)17(4-2)20(14)25-19(26)6-5-13-24-21(27)15-7-10-16(22)11-8-15/h7-12H,3-6,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide has a molecular weight of 407.34 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 26198654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).