N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide

C22H18Cl2N2O2 — CID 42704589

IUPACN-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
SMILESO=C(NCCN(C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c23-17-11-12-19(20(24)15-17)21(27)25-13-14-26(18-9-5-2-6-10-18)22(28)16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,25,27)
InChIKeyUMYOBVCMEUBPBS-UHFFFAOYSA-N
MW413.30 g/mol
LogP5.07
Rot. Bonds6

About N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide

N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide (PubChem CID 42704589) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
PubChem CID42704589
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC NameN-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
SMILESO=C(NCCN(C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H18Cl2N2O2/c23-17-11-12-19(20(24)15-17)21(27)25-13-14-26(18-9-5-2-6-10-18)22(28)16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,25,27)
InChIKeyUMYOBVCMEUBPBS-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 5000585
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726419
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide (CID 42704589) is N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide is O=C(NCCN(C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide?
The InChIKey is UMYOBVCMEUBPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-17-11-12-19(20(24)15-17)21(27)25-13-14-26(18-9-5-2-6-10-18)22(28)16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,25,27).
What are the key properties of N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide?
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide has a molecular weight of 413.30 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 42704589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).