5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide

C17H16ClF2NO2 — CID 55509693

IUPAC5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO2/c1-10(11-4-6-14(19)15(20)8-11)21(2)17(22)13-9-12(18)5-7-16(13)23-3/h4-10H,1-3H3
InChIKeyHYHGNKICVLEJJV-UHFFFAOYSA-N
MW339.77 g/mol
LogP4.46
Rot. Bonds4

About 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide

5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide (PubChem CID 55509693) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
PubChem CID55509693
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO2/c1-10(11-4-6-14(19)15(20)8-11)21(2)17(22)13-9-12(18)5-7-16(13)23-3/h4-10H,1-3H3
InChIKeyHYHGNKICVLEJJV-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
methyl 5-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]thiophene-2-carboxylate
CID 134050445
N-(5-chloro-2-methoxyphenyl)-2-[1-(3,4-difluorophenyl)ethyl-methylamino]acetamide
CID 46512444
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
N-[1-(3,4-difluorophenyl)ethyl]-5-methoxy-4-(2-methoxyethoxy)-N-methyl-2-nitrobenzamide
CID 55509928
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
CID 55510143
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide (CID 55509693) is 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide is COc1ccc(Cl)cc1C(=O)N(C)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide?
The InChIKey is HYHGNKICVLEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c1-10(11-4-6-14(19)15(20)8-11)21(2)17(22)13-9-12(18)5-7-16(13)23-3/h4-10H,1-3H3.
What are the key properties of 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide?
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide has a molecular weight of 339.77 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 55509693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).