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

C18H17BrCl2N2O2 — CID 27793697

IUPAC4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrCl2N2O2/c1-2-9-23(18(25)12-3-5-13(19)6-4-12)11-17(24)22-16-8-7-14(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H,22,24)
InChIKeyMBDLDYGQYKOPGI-UHFFFAOYSA-N
MW444.16 g/mol
LogP5.25
Rot. Bonds6

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

4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 27793697) has the molecular formula C18H17BrCl2N2O2 and a molecular weight of 444.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID27793697
Molecular FormulaC18H17BrCl2N2O2
Molecular Weight444.16 g/mol
Exact Mass441.99
IUPAC Name4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrCl2N2O2/c1-2-9-23(18(25)12-3-5-13(19)6-4-12)11-17(24)22-16-8-7-14(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H,22,24)
InChIKeyMBDLDYGQYKOPGI-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.16
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
(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
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
CID 55822669
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
N-[4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]-4-fluorobenzamide
CID 60572761

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide (CID 27793697) is 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is MBDLDYGQYKOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O2/c1-2-9-23(18(25)12-3-5-13(19)6-4-12)11-17(24)22-16-8-7-14(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H,22,24).
What are the key properties of 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide?
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 444.16 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 27793697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).