2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide

C18H19ClFNO2 — CID 113101243

IUPAC2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
SMILESCc1cc(C)c(OCCNC(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C18H19ClFNO2/c1-11-9-13(3)16(10-12(11)2)23-8-7-21-18(22)17-14(19)5-4-6-15(17)20/h4-6,9-10H,7-8H2,1-3H3,(H,21,22)
InChIKeyBBCOIHIOPAIOSN-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide (PubChem CID 113101243) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
PubChem CID113101243
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
SMILESCc1cc(C)c(OCCNC(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C18H19ClFNO2/c1-11-9-13(3)16(10-12(11)2)23-8-7-21-18(22)17-14(19)5-4-6-15(17)20/h4-6,9-10H,7-8H2,1-3H3,(H,21,22)
InChIKeyBBCOIHIOPAIOSN-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.21
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-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
2,6-dimethoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide
CID 113101223
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
N-[2-(4-tert-butylphenoxy)ethyl]-2-chloro-6-fluorobenzamide
CID 39952297
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
2-chloro-N-[2-[4-(2,6-dimethylphenoxy)butanoylamino]ethyl]-6-fluorobenzamide
CID 108541709
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide (CID 113101243) is 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide is Cc1cc(C)c(OCCNC(=O)c2c(F)cccc2Cl)cc1C.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
The InChIKey is BBCOIHIOPAIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-11-9-13(3)16(10-12(11)2)23-8-7-21-18(22)17-14(19)5-4-6-15(17)20/h4-6,9-10H,7-8H2,1-3H3,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzamide has a molecular weight of 335.81 g/mol, XLogP of 4.21, 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-(2,4,5-trimethylphenoxy)ethyl]benzamide is sourced from PubChem (CID 113101243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).