2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide

C17H17ClFNO2 — CID 110288651

IUPAC2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2/c1-22-13-9-7-12(8-10-13)4-3-11-20-17(21)16-14(18)5-2-6-15(16)19/h2,5-10H,3-4,11H2,1H3,(H,20,21)
InChIKeyGHOHJCADWLQVOA-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.85
Rot. Bonds6

About 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide

2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide (PubChem CID 110288651) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
PubChem CID110288651
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC Name2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2/c1-22-13-9-7-12(8-10-13)4-3-11-20-17(21)16-14(18)5-2-6-15(16)19/h2,5-10H,3-4,11H2,1H3,(H,20,21)
InChIKeyGHOHJCADWLQVOA-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 113090462
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
1-(2,6-difluorophenyl)-3-[3-(4-methoxyphenyl)propyl]thiourea
CID 100677572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide (CID 110288651) is 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide is COc1ccc(CCCNC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is GHOHJCADWLQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-22-13-9-7-12(8-10-13)4-3-11-20-17(21)16-14(18)5-2-6-15(16)19/h2,5-10H,3-4,11H2,1H3,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide?
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 321.78 g/mol, XLogP of 3.85, 6 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-[3-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 110288651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).