3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide

C19H17Cl2N3O2 — CID 31185067

IUPAC3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H17Cl2N3O2/c1-2-8-24(19(26)14-5-3-4-13(9-14)11-22)12-18(25)23-17-7-6-15(20)10-16(17)21/h3-7,9-10H,2,8,12H2,1H3,(H,23,25)
InChIKeyRCHHIURZXHBSOI-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.36
Rot. Bonds6

About 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide

3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 31185067) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID31185067
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H17Cl2N3O2/c1-2-8-24(19(26)14-5-3-4-13(9-14)11-22)12-18(25)23-17-7-6-15(20)10-16(17)21/h3-7,9-10H,2,8,12H2,1H3,(H,23,25)
InChIKeyRCHHIURZXHBSOI-UHFFFAOYSA-N
XLogP4.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(2-oxoimidazolidin-1-yl)-N-propylbenzamide
CID 55787027
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 133416634
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide (CID 31185067) is 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is RCHHIURZXHBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-2-8-24(19(26)14-5-3-4-13(9-14)11-22)12-18(25)23-17-7-6-15(20)10-16(17)21/h3-7,9-10H,2,8,12H2,1H3,(H,23,25).
What are the key properties of 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 390.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 31185067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).