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

C17H16Cl2N2O2 — CID 46809375

IUPACN-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-13-8-9-14(19)15(11-13)21-16(22)7-4-10-20-17(23)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,23)(H,21,22)
InChIKeyFKRYAYNOJLOFNT-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.14
Rot. Bonds6

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

N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide (PubChem CID 46809375) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
PubChem CID46809375
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c18-13-8-9-14(19)15(11-13)21-16(22)7-4-10-20-17(23)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,23)(H,21,22)
InChIKeyFKRYAYNOJLOFNT-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.14
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-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide (CID 46809375) is N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
The InChIKey is FKRYAYNOJLOFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-13-8-9-14(19)15(11-13)21-16(22)7-4-10-20-17(23)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,23)(H,21,22).
What are the key properties of N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide?
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 46809375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).