2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide

C16H14Cl2FNO2 — CID 90622974

IUPAC2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
SMILESCOC(CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-22-15(10-3-2-4-12(19)7-10)9-20-16(21)13-8-11(17)5-6-14(13)18/h2-8,15H,9H2,1H3,(H,20,21)
InChIKeyGSBMDYYCNOEVOV-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.25
Rot. Bonds5

About 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide

2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide (PubChem CID 90622974) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
PubChem CID90622974
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
SMILESCOC(CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H14Cl2FNO2/c1-22-15(10-3-2-4-12(19)7-10)9-20-16(21)13-8-11(17)5-6-14(13)18/h2-8,15H,9H2,1H3,(H,20,21)
InChIKeyGSBMDYYCNOEVOV-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
N-[(2S)-2-(3-chlorophenyl)-2-methoxyethyl]-3-fluoropyridine-4-carboxamide
CID 124607627
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623399
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide (CID 90622974) is 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide is COC(CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
The InChIKey is GSBMDYYCNOEVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-22-15(10-3-2-4-12(19)7-10)9-20-16(21)13-8-11(17)5-6-14(13)18/h2-8,15H,9H2,1H3,(H,20,21).
What are the key properties of 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide?
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide has a molecular weight of 342.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide is sourced from PubChem (CID 90622974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).