2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide

C16H15F2NO2 — CID 110761695

IUPAC2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H15F2NO2/c1-21-13-4-2-3-11(9-13)7-8-19-16(20)14-10-12(17)5-6-15(14)18/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyPSNYKDXVWOJODZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.95
Rot. Bonds5

About 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide

2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 110761695) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID110761695
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H15F2NO2/c1-21-13-4-2-3-11(9-13)7-8-19-16(20)14-10-12(17)5-6-15(14)18/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyPSNYKDXVWOJODZ-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
2-amino-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 107856311

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 110761695) is 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is PSNYKDXVWOJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-21-13-4-2-3-11(9-13)7-8-19-16(20)14-10-12(17)5-6-15(14)18/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 110761695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).