4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide

C21H26ClN3O4 — CID 26531357

IUPAC4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C21H26ClN3O4/c1-5-25(6-2)21(27)14-7-9-15(10-8-14)24-20(26)13-23-17-12-18(28-3)16(22)11-19(17)29-4/h7-12,23H,5-6,13H2,1-4H3,(H,24,26)
InChIKeyMPTFBKOZBSFQDL-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.89
Rot. Bonds9

About 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 26531357) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID26531357
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C21H26ClN3O4/c1-5-25(6-2)21(27)14-7-9-15(10-8-14)24-20(26)13-23-17-12-18(28-3)16(22)11-19(17)29-4/h7-12,23H,5-6,13H2,1-4H3,(H,24,26)
InChIKeyMPTFBKOZBSFQDL-UHFFFAOYSA-N
XLogP3.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
N,N-diethyl-4-[[2-[(2-methoxydibenzofuran-3-yl)amino]acetyl]amino]benzamide
CID 42068388
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54817414
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide (CID 26531357) is 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is MPTFBKOZBSFQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-5-25(6-2)21(27)14-7-9-15(10-8-14)24-20(26)13-23-17-12-18(28-3)16(22)11-19(17)29-4/h7-12,23H,5-6,13H2,1-4H3,(H,24,26).
What are the key properties of 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 419.91 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 26531357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).