N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

C24H23ClN2O6 — CID 16546266

IUPACN-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2OC)cc1
InChIInChI=1S/C24H23ClN2O6/c1-30-18-8-5-16(6-9-18)26-23(28)14-33-21-10-4-15(12-22(21)32-3)24(29)27-17-7-11-20(31-2)19(25)13-17/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQRUCFYHURROBHM-UHFFFAOYSA-N
MW470.91 g/mol
LogP4.64
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 16546266) has the molecular formula C24H23ClN2O6 and a molecular weight of 470.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID16546266
Molecular FormulaC24H23ClN2O6
Molecular Weight470.91 g/mol
Exact Mass470.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2OC)cc1
InChIInChI=1S/C24H23ClN2O6/c1-30-18-8-5-16(6-9-18)26-23(28)14-33-21-10-4-15(12-22(21)32-3)24(29)27-17-7-11-20(31-2)19(25)13-17/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQRUCFYHURROBHM-UHFFFAOYSA-N
XLogP4.64
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546421
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (CID 16546266) is N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2OC)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is QRUCFYHURROBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O6/c1-30-18-8-5-16(6-9-18)26-23(28)14-33-21-10-4-15(12-22(21)32-3)24(29)27-17-7-11-20(31-2)19(25)13-17/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 470.91 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 16546266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).