2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide

C15H12ClF2NO2 — CID 30865871

IUPAC2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccc(F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H12ClF2NO2/c16-12-2-1-3-13(18)14(12)15(20)19-8-9-21-11-6-4-10(17)5-7-11/h1-7H,8-9H2,(H,19,20)
InChIKeyIGKGQLUDDYKAMH-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide (PubChem CID 30865871) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
PubChem CID30865871
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
SMILESO=C(NCCOc1ccc(F)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C15H12ClF2NO2/c16-12-2-1-3-13(18)14(12)15(20)19-8-9-21-11-6-4-10(17)5-7-11/h1-7H,8-9H2,(H,19,20)
InChIKeyIGKGQLUDDYKAMH-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.43
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

N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
CID 39952297
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-chloro-6-fluorobenzamide
CID 30350377
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101243
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide (CID 30865871) is 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide is O=C(NCCOc1ccc(F)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide?
The InChIKey is IGKGQLUDDYKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c16-12-2-1-3-13(18)14(12)15(20)19-8-9-21-11-6-4-10(17)5-7-11/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide has a molecular weight of 311.72 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 30865871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).