N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide

C19H19Cl2FN2O2 — CID 31713224

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1F
InChIInChI=1S/C19H19Cl2FN2O2/c1-2-24(18(26)11-10-13-6-3-4-9-16(13)22)12-17(25)23-19-14(20)7-5-8-15(19)21/h3-9H,2,10-12H2,1H3,(H,23,25)
InChIKeyNFRVZGUPFVLFTK-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.55
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide (PubChem CID 31713224) has the molecular formula C19H19Cl2FN2O2 and a molecular weight of 397.28 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
PubChem CID31713224
Molecular FormulaC19H19Cl2FN2O2
Molecular Weight397.28 g/mol
Exact Mass396.08
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1F
InChIInChI=1S/C19H19Cl2FN2O2/c1-2-24(18(26)11-10-13-6-3-4-9-16(13)22)12-17(25)23-19-14(20)7-5-8-15(19)21/h3-9H,2,10-12H2,1H3,(H,23,25)
InChIKeyNFRVZGUPFVLFTK-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-methylsulfonylpropanamide
CID 134034709
4-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpentanamide;hydrochloride
CID 120559498
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide (CID 31713224) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1F.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide?
The InChIKey is NFRVZGUPFVLFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O2/c1-2-24(18(26)11-10-13-6-3-4-9-16(13)22)12-17(25)23-19-14(20)7-5-8-15(19)21/h3-9H,2,10-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide has a molecular weight of 397.28 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 31713224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).