N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide

C17H17ClFNO2 — CID 17459278

IUPACN-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
SMILESO=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H17ClFNO2/c18-13-7-9-14(10-8-13)22-12-4-3-11-20-17(21)15-5-1-2-6-16(15)19/h1-2,5-10H,3-4,11-12H2,(H,20,21)
InChIKeyUIZAXYBNWXNJSJ-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.07
Rot. Bonds7

About N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide

N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide (PubChem CID 17459278) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
PubChem CID17459278
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
SMILESO=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1F
InChIInChI=1S/C17H17ClFNO2/c18-13-7-9-14(10-8-13)22-12-4-3-11-20-17(21)15-5-1-2-6-16(15)19/h1-2,5-10H,3-4,11-12H2,(H,20,21)
InChIKeyUIZAXYBNWXNJSJ-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
CID 42572414
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47985502
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[4-(4-chlorophenoxy)butyl]-3-iodobenzamide
CID 16567606
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32510530
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide (CID 17459278) is N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide is O=C(NCCCCOc1ccc(Cl)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide?
The InChIKey is UIZAXYBNWXNJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c18-13-7-9-14(10-8-13)22-12-4-3-11-20-17(21)15-5-1-2-6-16(15)19/h1-2,5-10H,3-4,11-12H2,(H,20,21).
What are the key properties of N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide?
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide has a molecular weight of 321.78 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide is sourced from PubChem (CID 17459278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).