N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C21H24FNO4 — CID 113095973

IUPACN-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCN(C(=O)c2ccccc2F)C2CC2)cc(OC)c1OC
InChIInChI=1S/C21H24FNO4/c1-25-18-12-14(13-19(26-2)20(18)27-3)10-11-23(15-8-9-15)21(24)16-6-4-5-7-17(16)22/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyWRDSUGICBOOGRM-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.70
Rot. Bonds8

About N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide

N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 113095973) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID113095973
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCN(C(=O)c2ccccc2F)C2CC2)cc(OC)c1OC
InChIInChI=1S/C21H24FNO4/c1-25-18-12-14(13-19(26-2)20(18)27-3)10-11-23(15-8-9-15)21(24)16-6-4-5-7-17(16)22/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyWRDSUGICBOOGRM-UHFFFAOYSA-N
XLogP3.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
N-cyclopropyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095899
N-cyclopropyl-2,2-dimethyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]propanamide
CID 113095965
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluorobenzamide
CID 7123351
3,4,5-trimethoxy-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
CID 98119704
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 3356478
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 113095973) is N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(CCN(C(=O)c2ccccc2F)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is WRDSUGICBOOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-25-18-12-14(13-19(26-2)20(18)27-3)10-11-23(15-8-9-15)21(24)16-6-4-5-7-17(16)22/h4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 113095973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).