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

C21H25ClN2O2 — CID 39768886

IUPACN-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-3-15-12-13-18(22)17(4-2)20(15)24-19(25)11-8-14-23-21(26)16-9-6-5-7-10-16/h5-7,9-10,12-13H,3-4,8,11,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJXUZLJGIXVTWTJ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.61
Rot. Bonds8

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

N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide (PubChem CID 39768886) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
PubChem CID39768886
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C21H25ClN2O2/c1-3-15-12-13-18(22)17(4-2)20(15)24-19(25)11-8-14-23-21(26)16-9-6-5-7-10-16/h5-7,9-10,12-13H,3-4,8,11,14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJXUZLJGIXVTWTJ-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.61
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

4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
ethyl 2-(4-benzamidobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 55362819
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(4-oxopentyl)benzamide
CID 10798281
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
CID 112770384

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide (CID 39768886) is N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
The InChIKey is JXUZLJGIXVTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-3-15-12-13-18(22)17(4-2)20(15)24-19(25)11-8-14-23-21(26)16-9-6-5-7-10-16/h5-7,9-10,12-13H,3-4,8,11,14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide?
N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 39768886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).