N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide

C19H18Cl2FN3O3 — CID 25315753

IUPACN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FN3O3/c1-2-25(11-16(26)24-18-14(20)4-3-5-15(18)21)17(27)10-23-19(28)12-6-8-13(22)9-7-12/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,26)
InChIKeyQDFUGDJECKSDSB-UHFFFAOYSA-N
MW426.28 g/mol
LogP3.35
Rot. Bonds7

About N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 25315753) has the molecular formula C19H18Cl2FN3O3 and a molecular weight of 426.28 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID25315753
Molecular FormulaC19H18Cl2FN3O3
Molecular Weight426.28 g/mol
Exact Mass425.07
IUPAC NameN-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FN3O3/c1-2-25(11-16(26)24-18-14(20)4-3-5-15(18)21)17(27)10-23-19(28)12-6-8-13(22)9-7-12/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,26)
InChIKeyQDFUGDJECKSDSB-UHFFFAOYSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
CID 55457102
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
4-chloro-N-[4-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-4-oxobutyl]benzamide
CID 24981133
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 30794603
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 38370231

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide (CID 25315753) is N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is QDFUGDJECKSDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O3/c1-2-25(11-16(26)24-18-14(20)4-3-5-15(18)21)17(27)10-23-19(28)12-6-8-13(22)9-7-12/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 426.28 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 25315753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).