(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide

C21H23Cl2FN2O3 — CID 100502910

IUPAC(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C21H23Cl2FN2O3/c1-3-10-25-21(28)14(2)26(12-15-4-5-16(22)11-19(15)23)20(27)13-29-18-8-6-17(24)7-9-18/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,25,28)/t14-/m0/s1
InChIKeyZPBZCWQPSJZGOP-AWEZNQCLSA-N
MW441.33 g/mol
LogP4.45
Rot. Bonds9

About (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide

(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 100502910) has the molecular formula C21H23Cl2FN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID100502910
Molecular FormulaC21H23Cl2FN2O3
Molecular Weight441.33 g/mol
Exact Mass440.11
IUPAC Name(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C21H23Cl2FN2O3/c1-3-10-25-21(28)14(2)26(12-15-4-5-16(22)11-19(15)23)20(27)13-29-18-8-6-17(24)7-9-18/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,25,28)/t14-/m0/s1
InChIKeyZPBZCWQPSJZGOP-AWEZNQCLSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 132675451
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132667697
2-[[2-(4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132675682
2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132671236
2-[(2,4-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132943490
N-[(2,4-dichlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132654104
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]propanamide
CID 100575930
2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132659703
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-propylpropanamide
CID 132675692
(2R)-2-[[2-(4-chlorophenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100503280
(2S)-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100501404
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]butanamide
CID 132618758

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide (CID 100502910) is (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is ZPBZCWQPSJZGOP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23Cl2FN2O3/c1-3-10-25-21(28)14(2)26(12-15-4-5-16(22)11-19(15)23)20(27)13-29-18-8-6-17(24)7-9-18/h4-9,11,14H,3,10,12-13H2,1-2H3,(H,25,28)/t14-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide?
(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 441.33 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 100502910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).