N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide

C22H23Cl2N3O3 — CID 25162308

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23Cl2N3O3/c1-2-11-26(14-20(28)25-19-13-16(23)7-10-18(19)24)22(30)15-5-8-17(9-6-15)27-12-3-4-21(27)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28)
InChIKeyRULPNUVGYMVERN-UHFFFAOYSA-N
MW448.35 g/mol
LogP4.61
Rot. Bonds7

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide (PubChem CID 25162308) has the molecular formula C22H23Cl2N3O3 and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
PubChem CID25162308
Molecular FormulaC22H23Cl2N3O3
Molecular Weight448.35 g/mol
Exact Mass447.11
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23Cl2N3O3/c1-2-11-26(14-20(28)25-19-13-16(23)7-10-18(19)24)22(30)15-5-8-17(9-6-15)27-12-3-4-21(27)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28)
InChIKeyRULPNUVGYMVERN-UHFFFAOYSA-N
XLogP4.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide (CID 25162308) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide?
The InChIKey is RULPNUVGYMVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3/c1-2-11-26(14-20(28)25-19-13-16(23)7-10-18(19)24)22(30)15-5-8-17(9-6-15)27-12-3-4-21(27)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,28).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide has a molecular weight of 448.35 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide is sourced from PubChem (CID 25162308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).