3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide

C20H22ClFN2O2 — CID 51314639

IUPAC3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClFN2O2/c1-3-24(13-15-5-4-6-18(22)11-15)20(26)12-19(23-14(2)25)16-7-9-17(21)10-8-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyHHPPWPPIFHVKTF-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.10
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 51314639) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID51314639
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CC(NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClFN2O2/c1-3-24(13-15-5-4-6-18(22)11-15)20(26)12-19(23-14(2)25)16-7-9-17(21)10-8-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyHHPPWPPIFHVKTF-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51196023
(3S)-3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891568
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 56530878
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 112801097
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 27953629
N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
CID 51195838
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide (CID 51314639) is 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide is CCN(Cc1cccc(F)c1)C(=O)CC(NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is HHPPWPPIFHVKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-3-24(13-15-5-4-6-18(22)11-15)20(26)12-19(23-14(2)25)16-7-9-17(21)10-8-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 376.86 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 51314639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).