3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide

C24H22ClN3O3 — CID 38620709

IUPAC3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22ClN3O3/c1-16-11-12-18(13-21(16)27-23(30)17-7-4-3-5-8-17)24(31)28(2)15-22(29)26-20-10-6-9-19(25)14-20/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWMFGEBONRWOCPG-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.61
Rot. Bonds6

About 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide

3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (PubChem CID 38620709) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
PubChem CID38620709
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C24H22ClN3O3/c1-16-11-12-18(13-21(16)27-23(30)17-7-4-3-5-8-17)24(31)28(2)15-22(29)26-20-10-6-9-19(25)14-20/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWMFGEBONRWOCPG-UHFFFAOYSA-N
XLogP4.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
CID 33284692
3-acetamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 46472549
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
4-bromo-N-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 38622669
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 55653979

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (CID 38620709) is 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The InChIKey is WMFGEBONRWOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16-11-12-18(13-21(16)27-23(30)17-7-4-3-5-8-17)24(31)28(2)15-22(29)26-20-10-6-9-19(25)14-20/h3-14H,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide has a molecular weight of 435.91 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2-(3-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 38620709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).