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

C21H25Cl2N3O2 — CID 54810866

IUPAC3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-10-26(11-4-2)21(28)15-6-5-7-17(12-15)25-20(27)14-24-19-9-8-16(22)13-18(19)23/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3,(H,25,27)
InChIKeyGNTOOVUXAKMUJW-UHFFFAOYSA-N
MW422.36 g/mol
LogP5.31
Rot. Bonds9

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

3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide (PubChem CID 54810866) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
PubChem CID54810866
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-10-26(11-4-2)21(28)15-6-5-7-17(12-15)25-20(27)14-24-19-9-8-16(22)13-18(19)23/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3,(H,25,27)
InChIKeyGNTOOVUXAKMUJW-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-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981
4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[[2-(ethylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820598
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 26162275
N-butan-2-yl-3-[[2-(2,4-dichloroanilino)acetyl]amino]benzamide
CID 54810789
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54824667
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54827668

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide (CID 54810866) is 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
The InChIKey is GNTOOVUXAKMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-10-26(11-4-2)21(28)15-6-5-7-17(12-15)25-20(27)14-24-19-9-8-16(22)13-18(19)23/h5-9,12-13,24H,3-4,10-11,14H2,1-2H3,(H,25,27).
What are the key properties of 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide?
3-[[2-(2,4-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 3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54810866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).