N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide

C17H18Cl2N2O3 — CID 31185450

IUPACN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccoc1C
InChIInChI=1S/C17H18Cl2N2O3/c1-3-7-21(17(23)13-6-8-24-11(13)2)10-16(22)20-15-5-4-12(18)9-14(15)19/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,22)
InChIKeyIFNALHLEGUJGGJ-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide (PubChem CID 31185450) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
PubChem CID31185450
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccoc1C
InChIInChI=1S/C17H18Cl2N2O3/c1-3-7-21(17(23)13-6-8-24-11(13)2)10-16(22)20-15-5-4-12(18)9-14(15)19/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,22)
InChIKeyIFNALHLEGUJGGJ-UHFFFAOYSA-N
XLogP4.39
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
CID 55822669
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide (CID 31185450) is N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccoc1C.
What is the InChIKey of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide?
The InChIKey is IFNALHLEGUJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-3-7-21(17(23)13-6-8-24-11(13)2)10-16(22)20-15-5-4-12(18)9-14(15)19/h4-6,8-9H,3,7,10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide?
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide is sourced from PubChem (CID 31185450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).