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

C23H19Cl2N3O3 — CID 4796634

IUPAC2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2N3O3/c24-17-8-11-19(20(25)12-17)23(31)27-13-21(29)26-14-22(30)28-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,29)(H,27,31)(H,28,30)
InChIKeyCWUSRSASPRDNAM-UHFFFAOYSA-N
MW456.33 g/mol
LogP4.15
Rot. Bonds7

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

2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide (PubChem CID 4796634) has the molecular formula C23H19Cl2N3O3 and a molecular weight of 456.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
PubChem CID4796634
Molecular FormulaC23H19Cl2N3O3
Molecular Weight456.33 g/mol
Exact Mass455.08
IUPAC Name2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H19Cl2N3O3/c24-17-8-11-19(20(25)12-17)23(31)27-13-21(29)26-14-22(30)28-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,29)(H,27,31)(H,28,30)
InChIKeyCWUSRSASPRDNAM-UHFFFAOYSA-N
XLogP4.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenylanilino)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 35945777
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2,4-dichloro-N-[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]anilino]-2-oxoethyl]benzamide
CID 108765876
2,4-dichloro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 24637845
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-2,4-dichlorobenzamide
CID 5031566
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(3-pyrazol-1-ylanilino)ethyl]amino]ethyl]benzamide
CID 55838659

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide (CID 4796634) is 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide?
The InChIKey is CWUSRSASPRDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3/c24-17-8-11-19(20(25)12-17)23(31)27-13-21(29)26-14-22(30)28-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-12H,13-14H2,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide has a molecular weight of 456.33 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 4796634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).