3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide

C20H24FN3O3 — CID 34688622

IUPAC3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
SMILESCOc1cccc(CN(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FN3O3/c1-23(13-15-4-3-5-18(12-15)27-2)14-20(26)24(11-10-19(22)25)17-8-6-16(21)7-9-17/h3-9,12H,10-11,13-14H2,1-2H3,(H2,22,25)
InChIKeyMYDZGZIFWRNBSU-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.17
Rot. Bonds9

About 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide

3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide (PubChem CID 34688622) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
PubChem CID34688622
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
SMILESCOc1cccc(CN(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H24FN3O3/c1-23(13-15-4-3-5-18(12-15)27-2)14-20(26)24(11-10-19(22)25)17-8-6-16(21)7-9-17/h3-9,12H,10-11,13-14H2,1-2H3,(H2,22,25)
InChIKeyMYDZGZIFWRNBSU-UHFFFAOYSA-N
XLogP2.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 34693159
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78826757
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
CID 86891100
3-(N-[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]-4-fluoroanilino)propanamide
CID 55639254
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
3-(4-fluoro-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]anilino)propanamide
CID 34698785

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide (CID 34688622) is 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide is COc1cccc(CN(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide?
The InChIKey is MYDZGZIFWRNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-23(13-15-4-3-5-18(12-15)27-2)14-20(26)24(11-10-19(22)25)17-8-6-16(21)7-9-17/h3-9,12H,10-11,13-14H2,1-2H3,(H2,22,25).
What are the key properties of 3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide has a molecular weight of 373.43 g/mol, XLogP of 2.17, 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-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide is sourced from PubChem (CID 34688622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).