2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide

C20H22ClFN2O3 — CID 132763275

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClFN2O3/c1-3-23-20(26)14(2)24(12-15-6-4-5-7-18(15)22)19(25)13-27-17-10-8-16(21)9-11-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyHMOLNHSQPSFOCZ-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.41
Rot. Bonds8

About 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide

2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide (PubChem CID 132763275) has the molecular formula C20H22ClFN2O3 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
PubChem CID132763275
Molecular FormulaC20H22ClFN2O3
Molecular Weight392.86 g/mol
Exact Mass392.13
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H22ClFN2O3/c1-3-23-20(26)14(2)24(12-15-6-4-5-7-18(15)22)19(25)13-27-17-10-8-16(21)9-11-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyHMOLNHSQPSFOCZ-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132986920
2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132659703
2-[(2-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 133204405
(2R)-N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100564779
2-[(2-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-ethylpropanamide
CID 132680023
(2R)-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633185
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132947829
(2S)-N-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100563262
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132763365
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100723367
2-[(3-bromophenyl)methyl-[2-(4-chlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 132613311
2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262338

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide (CID 132763275) is 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide?
The InChIKey is HMOLNHSQPSFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3/c1-3-23-20(26)14(2)24(12-15-6-4-5-7-18(15)22)19(25)13-27-17-10-8-16(21)9-11-17/h4-11,14H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide?
2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide has a molecular weight of 392.86 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132763275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).