2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide

C22H18Cl2N2O2 — CID 108570885

IUPAC2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2N2O2/c23-18-10-11-19(20(24)14-18)22(28)26-13-12-25-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)(H,26,28)
InChIKeyGYOWLYRIUYXBHM-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.82
Rot. Bonds6

About 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide

2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide (PubChem CID 108570885) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
PubChem CID108570885
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2N2O2/c23-18-10-11-19(20(24)14-18)22(28)26-13-12-25-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)(H,26,28)
InChIKeyGYOWLYRIUYXBHM-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.82
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-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083164
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
CID 4796634
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
2,5-dichloro-N'-(4-phenylbenzoyl)benzohydrazide
CID 4789053

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide (CID 108570885) is 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
The InChIKey is GYOWLYRIUYXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-18-10-11-19(20(24)14-18)22(28)26-13-12-25-21(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide?
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide has a molecular weight of 413.30 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108570885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).