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

C20H23FN2O3 — CID 133212989

IUPAC2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C20H23FN2O3/c1-14(20(25)22-12-16-6-10-19(26-3)11-7-16)23(15(2)24)13-17-4-8-18(21)9-5-17/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyHBKKQXIHQGYIMN-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.89
Rot. Bonds7

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

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 133212989) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID133212989
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C20H23FN2O3/c1-14(20(25)22-12-16-6-10-19(26-3)11-7-16)23(15(2)24)13-17-4-8-18(21)9-5-17/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyHBKKQXIHQGYIMN-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 133213482
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149813
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 132705518
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132654013
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 9494892
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 133212988
N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
N-[(4-chlorophenyl)methyl]-2-[[2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 133213275

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 133212989) is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)N(Cc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is HBKKQXIHQGYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(20(25)22-12-16-6-10-19(26-3)11-7-16)23(15(2)24)13-17-4-8-18(21)9-5-17/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 133212989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).