N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide

C26H27Cl2NO — CID 42709041

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H27Cl2NO/c1-3-24(21-7-5-4-6-8-21)26(30)29(18-20-11-9-19(2)10-12-20)16-15-22-13-14-23(27)17-25(22)28/h4-14,17,24H,3,15-16,18H2,1-2H3
InChIKeyRJJSIBJZVXELAX-UHFFFAOYSA-N
MW440.41 g/mol
LogP7.07
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide (PubChem CID 42709041) has the molecular formula C26H27Cl2NO and a molecular weight of 440.41 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
PubChem CID42709041
Molecular FormulaC26H27Cl2NO
Molecular Weight440.41 g/mol
Exact Mass439.15
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H27Cl2NO/c1-3-24(21-7-5-4-6-8-21)26(30)29(18-20-11-9-19(2)10-12-20)16-15-22-13-14-23(27)17-25(22)28/h4-14,17,24H,3,15-16,18H2,1-2H3
InChIKeyRJJSIBJZVXELAX-UHFFFAOYSA-N
XLogP7.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide (CID 42709041) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide is CCC(C(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
The InChIKey is RJJSIBJZVXELAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2NO/c1-3-24(21-7-5-4-6-8-21)26(30)29(18-20-11-9-19(2)10-12-20)16-15-22-13-14-23(27)17-25(22)28/h4-14,17,24H,3,15-16,18H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide has a molecular weight of 440.41 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 42709041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).