3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide

C24H26FN3O3 — CID 86891100

IUPAC3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(CCC(N)=O)c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C24H26FN3O3/c1-27(15-17-3-4-19-14-22(31-2)10-5-18(19)13-17)24(30)16-28(12-11-23(26)29)21-8-6-20(25)7-9-21/h3-10,13-14H,11-12,15-16H2,1-2H3,(H2,26,29)
InChIKeyQODGJYQBLVFCEY-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.33
Rot. Bonds9

About 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide

3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide (PubChem CID 86891100) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
PubChem CID86891100
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
SMILESCOc1ccc2cc(CN(C)C(=O)CN(CCC(N)=O)c3ccc(F)cc3)ccc2c1
InChIInChI=1S/C24H26FN3O3/c1-27(15-17-3-4-19-14-22(31-2)10-5-18(19)13-17)24(30)16-28(12-11-23(26)29)21-8-6-20(25)7-9-21/h3-10,13-14H,11-12,15-16H2,1-2H3,(H2,26,29)
InChIKeyQODGJYQBLVFCEY-UHFFFAOYSA-N
XLogP3.33
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78826757
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
3-(N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 40939865
(2R)-2-(4-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 31882368
2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78826759
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
2-(3-fluorophenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 9482694
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide (CID 86891100) is 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide is COc1ccc2cc(CN(C)C(=O)CN(CCC(N)=O)c3ccc(F)cc3)ccc2c1.
What is the InChIKey of 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide?
The InChIKey is QODGJYQBLVFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-27(15-17-3-4-19-14-22(31-2)10-5-18(19)13-17)24(30)16-28(12-11-23(26)29)21-8-6-20(25)7-9-21/h3-10,13-14H,11-12,15-16H2,1-2H3,(H2,26,29).
What are the key properties of 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide?
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide has a molecular weight of 423.49 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide is sourced from PubChem (CID 86891100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).