2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide

C18H19ClFNO2 — CID 134044870

IUPAC2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C18H19ClFNO2/c1-12-9-13(2)11-14(10-12)23-8-7-21(3)18(22)17-15(19)5-4-6-16(17)20/h4-6,9-11H,7-8H2,1-3H3
InChIKeyXBFWQALHBHOMCA-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.25
Rot. Bonds5

About 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide

2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide (PubChem CID 134044870) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
PubChem CID134044870
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C18H19ClFNO2/c1-12-9-13(2)11-14(10-12)23-8-7-21(3)18(22)17-15(19)5-4-6-16(17)20/h4-6,9-11H,7-8H2,1-3H3
InChIKeyXBFWQALHBHOMCA-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 55521884
4-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 46629079
3-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 18273848
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687
2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115759842
N-[2-(4-chlorophenoxy)ethyl]-2,4-difluoro-6-hydroxy-N-methylbenzamide
CID 60599227
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
CID 55431085
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide (CID 134044870) is 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide is Cc1cc(C)cc(OCCN(C)C(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide?
The InChIKey is XBFWQALHBHOMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12-9-13(2)11-14(10-12)23-8-7-21(3)18(22)17-15(19)5-4-6-16(17)20/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide?
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide has a molecular weight of 335.81 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 134044870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).