4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide

C21H25Cl2N3O2 — CID 54815933

IUPAC4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-12-26(13-4-2)21(28)15-8-10-16(11-9-15)25-19(27)14-24-18-7-5-6-17(22)20(18)23/h5-11,24H,3-4,12-14H2,1-2H3,(H,25,27)
InChIKeyYUVVVTSHPDZTBR-UHFFFAOYSA-N
MW422.36 g/mol
LogP5.31
Rot. Bonds9

About 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide

4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54815933) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54815933
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-12-26(13-4-2)21(28)15-8-10-16(11-9-15)25-19(27)14-24-18-7-5-6-17(22)20(18)23/h5-11,24H,3-4,12-14H2,1-2H3,(H,25,27)
InChIKeyYUVVVTSHPDZTBR-UHFFFAOYSA-N
XLogP5.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
4-[[2-(2-methoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54817414
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
2-(2,3-dichloroanilino)-N-(4-propoxyphenyl)acetamide
CID 54815982
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811628
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54815933) is 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is YUVVVTSHPDZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-12-26(13-4-2)21(28)15-8-10-16(11-9-15)25-19(27)14-24-18-7-5-6-17(22)20(18)23/h5-11,24H,3-4,12-14H2,1-2H3,(H,25,27).
What are the key properties of 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide has a molecular weight of 422.36 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54815933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).