N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

C24H23ClN2O4 — CID 27838613

IUPACN-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C24H23ClN2O4/c1-30-22-7-3-6-20(15-22)27-23(28)16-31-21-10-8-18(9-11-21)24(29)26-13-12-17-4-2-5-19(25)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyJUHIKHLJIPOGMR-UHFFFAOYSA-N
MW438.91 g/mol
LogP4.34
Rot. Bonds9

About N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 27838613) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID27838613
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C24H23ClN2O4/c1-30-22-7-3-6-20(15-22)27-23(28)16-31-21-10-8-18(9-11-21)24(29)26-13-12-17-4-2-5-19(25)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyJUHIKHLJIPOGMR-UHFFFAOYSA-N
XLogP4.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319130
N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 162640903
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
N-(3-chlorophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652748
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (CID 27838613) is N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is JUHIKHLJIPOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-30-22-7-3-6-20(15-22)27-23(28)16-31-21-10-8-18(9-11-21)24(29)26-13-12-17-4-2-5-19(25)14-17/h2-11,14-15H,12-13,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 438.91 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 27838613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).