N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C19H22FNO4 — CID 2107051

IUPACN-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-23-16-10-14(11-17(24-2)19(16)25-3)6-9-18(22)21-12-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)
InChIKeyMKAGBYPLDRADMM-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.10
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2107051) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2107051
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-23-16-10-14(11-17(24-2)19(16)25-3)6-9-18(22)21-12-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)
InChIKeyMKAGBYPLDRADMM-UHFFFAOYSA-N
XLogP3.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2107051) is N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is MKAGBYPLDRADMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-23-16-10-14(11-17(24-2)19(16)25-3)6-9-18(22)21-12-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 347.39 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2107051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).