2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide

C23H28Cl2N2O2 — CID 133174583

IUPAC2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCC(=O)N(Cc1c(Cl)cccc1Cl)C(Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C23H28Cl2N2O2/c1-4-22(28)27(15-18-19(24)11-8-12-20(18)25)21(23(29)26-14-16(2)3)13-17-9-6-5-7-10-17/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyXZZDYVXXHBTAKU-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.12
Rot. Bonds9

About 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide

2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 133174583) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID133174583
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCC(=O)N(Cc1c(Cl)cccc1Cl)C(Cc1ccccc1)C(=O)NCC(C)C
InChIInChI=1S/C23H28Cl2N2O2/c1-4-22(28)27(15-18-19(24)11-8-12-20(18)25)21(23(29)26-14-16(2)3)13-17-9-6-5-7-10-17/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyXZZDYVXXHBTAKU-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850
2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174502
2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172208
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174252
2-[3-(4-tert-butylphenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133174324
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173889
2-[benzyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133211922
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172546
2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133200873
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 125108980
(2R)-N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100697862
2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133154169

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 133174583) is 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide is CCC(=O)N(Cc1c(Cl)cccc1Cl)C(Cc1ccccc1)C(=O)NCC(C)C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is XZZDYVXXHBTAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-4-22(28)27(15-18-19(24)11-8-12-20(18)25)21(23(29)26-14-16(2)3)13-17-9-6-5-7-10-17/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide?
2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 435.40 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 133174583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).