3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide

C20H22ClFN2O3 — CID 51196023

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H22ClFN2O3/c1-13(25)23-18(15-5-7-16(21)8-6-15)11-20(26)24(2)12-14-4-9-19(27-3)17(22)10-14/h4-10,18H,11-12H2,1-3H3,(H,23,25)
InChIKeyHPWZZNSIEPIUFG-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.71
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide

3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 51196023) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID51196023
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H22ClFN2O3/c1-13(25)23-18(15-5-7-16(21)8-6-15)11-20(26)24(2)12-14-4-9-19(27-3)17(22)10-14/h4-10,18H,11-12H2,1-3H3,(H,23,25)
InChIKeyHPWZZNSIEPIUFG-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
5-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964021
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[1-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18158666
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 86924803
3-(ethylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 62835854
(3S)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100783355

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide (CID 51196023) is 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is HPWZZNSIEPIUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-13(25)23-18(15-5-7-16(21)8-6-15)11-20(26)24(2)12-14-4-9-19(27-3)17(22)10-14/h4-10,18H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide?
3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 392.86 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 51196023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).