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

C21H25Cl2N3O2 — CID 54832307

IUPAC4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-11-26(12-4-2)21(28)15-5-7-16(8-6-15)24-14-20(27)25-17-9-10-18(22)19(23)13-17/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,25,27)
InChIKeyWHHSTMIEQVZFDV-UHFFFAOYSA-N
MW422.36 g/mol
LogP5.31
Rot. Bonds9

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

4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54832307) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
PubChem CID54832307
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-11-26(12-4-2)21(28)15-5-7-16(8-6-15)24-14-20(27)25-17-9-10-18(22)19(23)13-17/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,25,27)
InChIKeyWHHSTMIEQVZFDV-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

4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54815933
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (CID 54832307) is 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is WHHSTMIEQVZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-11-26(12-4-2)21(28)15-5-7-16(8-6-15)24-14-20(27)25-17-9-10-18(22)19(23)13-17/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
4-[[2-(3,4-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 4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54832307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).