N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide

C24H23ClN2O2 — CID 153367755

IUPACN-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N(c1ccccc1C)c1cc(Cl)ccc1C
InChIInChI=1S/C24H23ClN2O2/c1-16-8-4-6-10-20(16)24(29)26-15-23(28)27(21-11-7-5-9-17(21)2)22-14-19(25)13-12-18(22)3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyXPGGHSIWNHXIOW-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.36
Rot. Bonds5

About N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide

N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 153367755) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide
PubChem CID153367755
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC NameN-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N(c1ccccc1C)c1cc(Cl)ccc1C
InChIInChI=1S/C24H23ClN2O2/c1-16-8-4-6-10-20(16)24(29)26-15-23(28)27(21-11-7-5-9-17(21)2)22-14-19(25)13-12-18(22)3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyXPGGHSIWNHXIOW-UHFFFAOYSA-N
XLogP5.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
3-[2-(2,4-dichlorophenyl)ethyl-[2-[2-[(2-methylphenyl)methylcarbamoyl]phenyl]benzoyl]amino]propanoic acid
CID 69428365

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide (CID 153367755) is N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)N(c1ccccc1C)c1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is XPGGHSIWNHXIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-16-8-4-6-10-20(16)24(29)26-15-23(28)27(21-11-7-5-9-17(21)2)22-14-19(25)13-12-18(22)3/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide?
N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 406.91 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 153367755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).