5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide

C17H17ClFNO3 — CID 9083338

IUPAC5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)13-10-12(18)4-5-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyDGPAUKZCIUIOIZ-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.47
Rot. Bonds6

About 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide

5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide (PubChem CID 9083338) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
PubChem CID9083338
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)13-10-12(18)4-5-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyDGPAUKZCIUIOIZ-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
2-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453045
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3337199
5-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-nitrobenzamide
CID 8528872
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide (CID 9083338) is 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide is COc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1OC.
What is the InChIKey of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide?
The InChIKey is DGPAUKZCIUIOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-22-15-6-3-11(9-16(15)23-2)7-8-20-17(21)13-10-12(18)4-5-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide?
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide has a molecular weight of 337.78 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 9083338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).