N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C18H20FNO4 — CID 2710290

IUPACN-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H20FNO4/c1-22-15-10-12(11-16(23-2)18(15)24-3)8-9-17(21)20-14-7-5-4-6-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyHDFBHMKIRRDYHB-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.42
Rot. Bonds7

About N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2710290) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2710290
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C18H20FNO4/c1-22-15-10-12(11-16(23-2)18(15)24-3)8-9-17(21)20-14-7-5-4-6-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyHDFBHMKIRRDYHB-UHFFFAOYSA-N
XLogP3.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876
N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109008378
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
N-(2-fluorophenyl)-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3750282
N-(2,3-difluorophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60596443
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 51057579
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2710290) is N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HDFBHMKIRRDYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-22-15-10-12(11-16(23-2)18(15)24-3)8-9-17(21)20-14-7-5-4-6-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 333.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2710290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).