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

C24H23ClN2O5 — CID 16548736

IUPACN-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2OC)cc1
InChIInChI=1S/C24H23ClN2O5/c1-15-12-17(25)5-10-20(15)27-24(29)16-4-11-21(22(13-16)31-3)32-14-23(28)26-18-6-8-19(30-2)9-7-18/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPSKIIJCILWNZIF-UHFFFAOYSA-N
MW454.91 g/mol
LogP4.94
Rot. Bonds8

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

N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 16548736) has the molecular formula C24H23ClN2O5 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID16548736
Molecular FormulaC24H23ClN2O5
Molecular Weight454.91 g/mol
Exact Mass454.13
IUPAC NameN-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2OC)cc1
InChIInChI=1S/C24H23ClN2O5/c1-15-12-17(25)5-10-20(15)27-24(29)16-4-11-21(22(13-16)31-3)32-14-23(28)26-18-6-8-19(30-2)9-7-18/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyPSKIIJCILWNZIF-UHFFFAOYSA-N
XLogP4.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-(5-tert-butyl-2-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546421
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 16552258
N-(3,4-dimethylphenyl)-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 8744099
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
4-tert-butyl-N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-hydroxyphenyl]benzamide
CID 17362970
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide (CID 16548736) is N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is PSKIIJCILWNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5/c1-15-12-17(25)5-10-20(15)27-24(29)16-4-11-21(22(13-16)31-3)32-14-23(28)26-18-6-8-19(30-2)9-7-18/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide?
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 454.91 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 16548736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).