2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide

C16H15ClFNO2 — CID 2933867

IUPAC2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(11-5-3-6-12(9-11)21-2)19-16(20)15-13(17)7-4-8-14(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyBFHPXDAMHIQHAA-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.98
Rot. Bonds4

About 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide

2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 2933867) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID2933867
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C16H15ClFNO2/c1-10(11-5-3-6-12(9-11)21-2)19-16(20)15-13(17)7-4-8-14(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyBFHPXDAMHIQHAA-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 2933867) is 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(C)NC(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is BFHPXDAMHIQHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(11-5-3-6-12(9-11)21-2)19-16(20)15-13(17)7-4-8-14(15)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide?
2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 307.75 g/mol, XLogP of 3.98, 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-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 2933867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).