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

C21H25Cl2N3O2 — CID 54840911

IUPAC3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-11-26(12-4-2)21(28)15-7-5-8-16(13-15)24-14-19(27)25-18-10-6-9-17(22)20(18)23/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,25,27)
InChIKeyDMQDFFLQLYBLRS-UHFFFAOYSA-N
MW422.36 g/mol
LogP5.31
Rot. Bonds9

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

3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54840911) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
PubChem CID54840911
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-11-26(12-4-2)21(28)15-7-5-8-16(13-15)24-14-19(27)25-18-10-6-9-17(22)20(18)23/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,25,27)
InChIKeyDMQDFFLQLYBLRS-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

2-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840938
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54815933
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
methyl 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 34067227
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838651
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
3-[[2-(2-chloroanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837432
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (CID 54840911) is 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is DMQDFFLQLYBLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-11-26(12-4-2)21(28)15-7-5-8-16(13-15)24-14-19(27)25-18-10-6-9-17(22)20(18)23/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]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 3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54840911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).