4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide

C17H15Cl3N2O2 — CID 9439469

IUPAC4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c18-12-5-3-11(4-6-12)17(24)21-9-1-2-16(23)22-15-10-13(19)7-8-14(15)20/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23)
InChIKeyOWKIORVAIDLOCT-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.80
Rot. Bonds6

About 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide

4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide (PubChem CID 9439469) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
PubChem CID9439469
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC Name4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl3N2O2/c18-12-5-3-11(4-6-12)17(24)21-9-1-2-16(23)22-15-10-13(19)7-8-14(15)20/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23)
InChIKeyOWKIORVAIDLOCT-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.80
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-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide (CID 9439469) is 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
The InChIKey is OWKIORVAIDLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c18-12-5-3-11(4-6-12)17(24)21-9-1-2-16(23)22-15-10-13(19)7-8-14(15)20/h3-8,10H,1-2,9H2,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide has a molecular weight of 385.68 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 9439469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).