2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C17H17ClFNO2 — CID 51212285

IUPAC2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNO2/c1-10-7-8-15(22-3)12(9-10)11(2)20-17(21)16-13(18)5-4-6-14(16)19/h4-9,11H,1-3H3,(H,20,21)
InChIKeyJITNQGQBHICURM-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.29
Rot. Bonds4

About 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide

2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 51212285) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID51212285
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNO2/c1-10-7-8-15(22-3)12(9-10)11(2)20-17(21)16-13(18)5-4-6-14(16)19/h4-9,11H,1-3H3,(H,20,21)
InChIKeyJITNQGQBHICURM-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-6-hydroxybenzamide
CID 104916492
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 51212285) is 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1C(C)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is JITNQGQBHICURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-10-7-8-15(22-3)12(9-10)11(2)20-17(21)16-13(18)5-4-6-14(16)19/h4-9,11H,1-3H3,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 321.78 g/mol, XLogP of 4.29, 4 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-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 51212285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).