5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide

C16H15ClFNO2 — CID 26586018

IUPAC5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)14-10-12(17)4-7-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyWQBJYOSVOBROQQ-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.46
Rot. Bonds5

About 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide

5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 26586018) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID26586018
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)14-10-12(17)4-7-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyWQBJYOSVOBROQQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 118498869
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
2-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891420
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 26586018) is 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is WQBJYOSVOBROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-13-5-2-11(3-6-13)8-9-19-16(20)14-10-12(17)4-7-15(14)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide?
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 307.75 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 26586018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).