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

C20H22ClFN2O3 — CID 133213138

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClFN2O3/c1-14(20(27)23-10-11-25)24(13-16-4-8-18(22)9-5-16)19(26)12-15-2-6-17(21)7-3-15/h2-9,14,25H,10-13H2,1H3,(H,23,27)
InChIKeyZOYJSNYETKODMU-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.55
Rot. Bonds8

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

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide (PubChem CID 133213138) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
PubChem CID133213138
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCC(C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClFN2O3/c1-14(20(27)23-10-11-25)24(13-16-4-8-18(22)9-5-16)19(26)12-15-2-6-17(21)7-3-15/h2-9,14,25H,10-13H2,1H3,(H,23,27)
InChIKeyZOYJSNYETKODMU-UHFFFAOYSA-N
XLogP2.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213144
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-phenylethyl)propanamide
CID 133213149
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100572113
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132667697
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide (CID 133213138) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide is CC(C(=O)NCCO)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is ZOYJSNYETKODMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-14(20(27)23-10-11-25)24(13-16-4-8-18(22)9-5-16)19(26)12-15-2-6-17(21)7-3-15/h2-9,14,25H,10-13H2,1H3,(H,23,27).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 392.86 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 133213138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).