N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide

C19H19Cl2FN2O3 — CID 60551379

IUPACN-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C19H19Cl2FN2O3/c20-13-7-8-17(15(21)12-13)27-11-3-6-18(25)23-9-10-24-19(26)14-4-1-2-5-16(14)22/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,23,25)(H,24,26)
InChIKeyWFBKLLQLLSAUIW-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.84
Rot. Bonds9

About N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide

N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide (PubChem CID 60551379) has the molecular formula C19H19Cl2FN2O3 and a molecular weight of 413.28 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
PubChem CID60551379
Molecular FormulaC19H19Cl2FN2O3
Molecular Weight413.28 g/mol
Exact Mass412.08
IUPAC NameN-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C19H19Cl2FN2O3/c20-13-7-8-17(15(21)12-13)27-11-3-6-18(25)23-9-10-24-19(26)14-4-1-2-5-16(14)22/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,23,25)(H,24,26)
InChIKeyWFBKLLQLLSAUIW-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
CID 108570802
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide (CID 60551379) is N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide?
The InChIKey is WFBKLLQLLSAUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3/c20-13-7-8-17(15(21)12-13)27-11-3-6-18(25)23-9-10-24-19(26)14-4-1-2-5-16(14)22/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,23,25)(H,24,26).
What are the key properties of N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide?
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide has a molecular weight of 413.28 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 60551379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).