N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide

C22H25Cl2FN2O3 — CID 132718318

IUPACN-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F
InChIInChI=1S/C22H25Cl2FN2O3/c1-14(21(29)26-22(2,3)4)27(12-15-9-10-16(23)17(24)11-15)20(28)13-30-19-8-6-5-7-18(19)25/h5-11,14H,12-13H2,1-4H3,(H,26,29)
InChIKeyUJOUICNTUYGPKT-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.84
Rot. Bonds7

About N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide

N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide (PubChem CID 132718318) has the molecular formula C22H25Cl2FN2O3 and a molecular weight of 455.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
PubChem CID132718318
Molecular FormulaC22H25Cl2FN2O3
Molecular Weight455.36 g/mol
Exact Mass454.12
IUPAC NameN-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F
InChIInChI=1S/C22H25Cl2FN2O3/c1-14(21(29)26-22(2,3)4)27(12-15-9-10-16(23)17(24)11-15)20(28)13-30-19-8-6-5-7-18(19)25/h5-11,14H,12-13H2,1-4H3,(H,26,29)
InChIKeyUJOUICNTUYGPKT-UHFFFAOYSA-N
XLogP4.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(2-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705523
(2S)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
CID 100501082
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 132722766
N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132714720
N-butan-2-yl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132945422
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133145707
N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133193844
2-[[2-(2-tert-butylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132621966
(2S)-2-[(3-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100620282
2-[(3-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 132762600
N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132712669
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709167

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide (CID 132718318) is N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide is CC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1F.
What is the InChIKey of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide?
The InChIKey is UJOUICNTUYGPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2FN2O3/c1-14(21(29)26-22(2,3)4)27(12-15-9-10-16(23)17(24)11-15)20(28)13-30-19-8-6-5-7-18(19)25/h5-11,14H,12-13H2,1-4H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide?
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide has a molecular weight of 455.36 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132718318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).