3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide

C20H23FN2O3 — CID 113119269

IUPAC3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(14-16-7-9-18(21)10-8-16)12-11-20(25)22-13-17-5-3-4-6-19(17)26-2/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyVSIHDVJTRTUTLU-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.89
Rot. Bonds8

About 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 113119269) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID113119269
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCN(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(14-16-7-9-18(21)10-8-16)12-11-20(25)22-13-17-5-3-4-6-19(17)26-2/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyVSIHDVJTRTUTLU-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide (CID 113119269) is 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCN(Cc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is VSIHDVJTRTUTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(24)23(14-16-7-9-18(21)10-8-16)12-11-20(25)22-13-17-5-3-4-6-19(17)26-2/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide?
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113119269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).