3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

C19H20Cl2N2O2 — CID 38684187

IUPAC3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-8-23(19(25)14-9-15(20)11-16(21)10-14)12-18(24)22-17-7-5-4-6-13(17)2/h4-7,9-11H,3,8,12H2,1-2H3,(H,22,24)
InChIKeyXSBMUSWLIBINCB-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.79
Rot. Bonds6

About 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 38684187) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID38684187
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-3-8-23(19(25)14-9-15(20)11-16(21)10-14)12-18(24)22-17-7-5-4-6-13(17)2/h4-7,9-11H,3,8,12H2,1-2H3,(H,22,24)
InChIKeyXSBMUSWLIBINCB-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 31975764
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
CID 31974383
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
ethyl 3-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]-5-nitrobenzoate
CID 38681937
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (CID 38684187) is 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is XSBMUSWLIBINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-3-8-23(19(25)14-9-15(20)11-16(21)10-14)12-18(24)22-17-7-5-4-6-13(17)2/h4-7,9-11H,3,8,12H2,1-2H3,(H,22,24).
What are the key properties of 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 379.29 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 38684187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).