2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

C24H22Cl2N2O3 — CID 46433559

IUPAC2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-31-19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)28-22(29)15-27-24(30)20-13-10-18(25)14-21(20)26/h3-14,23H,2,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyJHLBIVCGFFFUEB-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.03
Rot. Bonds8

About 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 46433559) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID46433559
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Name2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-31-19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)28-22(29)15-27-24(30)20-13-10-18(25)14-21(20)26/h3-14,23H,2,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyJHLBIVCGFFFUEB-UHFFFAOYSA-N
XLogP5.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 112772541
2,4-dichloro-N-[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 55350113
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-[2-[[(2,4-dichlorophenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 59689121
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
2,4-dichloro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 51164454

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 46433559) is 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is JHLBIVCGFFFUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-2-31-19-11-8-17(9-12-19)23(16-6-4-3-5-7-16)28-22(29)15-27-24(30)20-13-10-18(25)14-21(20)26/h3-14,23H,2,15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 457.36 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46433559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).