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

C20H23FN2O3 — CID 132654013

IUPAC2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3/c1-14(20(25)22-2)23(13-16-6-10-18(26-3)11-7-16)19(24)12-15-4-8-17(21)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyRQTKQTIRNORSAX-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.54
Rot. Bonds7

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

2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (PubChem CID 132654013) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
PubChem CID132654013
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3/c1-14(20(25)22-2)23(13-16-6-10-18(26-3)11-7-16)19(24)12-15-4-8-17(21)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyRQTKQTIRNORSAX-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 132705518
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624195
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132655175
2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methylpropanamide
CID 132663475
2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132611051
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 133213482
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
2-[[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132684840
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100620913
2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149813
2-[[2-(4-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132658307
2-[[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132677247

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (CID 132654013) is 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is RQTKQTIRNORSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(20(25)22-2)23(13-16-6-10-18(26-3)11-7-16)19(24)12-15-4-8-17(21)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 358.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132654013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).