N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C20H23Cl2NO — CID 54782258

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H23Cl2NO/c1-13(2)10-15-4-6-16(7-5-15)14(3)20(24)23-12-17-8-9-18(21)11-19(17)22/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,24)
InChIKeyUPPQYLFEWDDIPC-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.61
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782258) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782258
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H23Cl2NO/c1-13(2)10-15-4-6-16(7-5-15)14(3)20(24)23-12-17-8-9-18(21)11-19(17)22/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,24)
InChIKeyUPPQYLFEWDDIPC-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782258) is N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is UPPQYLFEWDDIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-13(2)10-15-4-6-16(7-5-15)14(3)20(24)23-12-17-8-9-18(21)11-19(17)22/h4-9,11,13-14H,10,12H2,1-3H3,(H,23,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 364.32 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).