N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide

C24H21Cl2F3N2O — CID 53384016

IUPACN-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21Cl2F3N2O/c1-31(15-17-7-12-20(25)21(26)13-17)22(18-8-10-19(11-9-18)24(27,28)29)23(32)30-14-16-5-3-2-4-6-16/h2-13,22H,14-15H2,1H3,(H,30,32)
InChIKeyGFQNTNHFWAADMW-UHFFFAOYSA-N
MW481.35 g/mol
LogP6.50
Rot. Bonds7

About N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide

N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 53384016) has the molecular formula C24H21Cl2F3N2O and a molecular weight of 481.35 g/mol. Its IUPAC name is N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID53384016
Molecular FormulaC24H21Cl2F3N2O
Molecular Weight481.35 g/mol
Exact Mass480.10
IUPAC NameN-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H21Cl2F3N2O/c1-31(15-17-7-12-20(25)21(26)13-17)22(18-8-10-19(11-9-18)24(27,28)29)23(32)30-14-16-5-3-2-4-6-16/h2-13,22H,14-15H2,1H3,(H,30,32)
InChIKeyGFQNTNHFWAADMW-UHFFFAOYSA-N
XLogP6.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.35
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 53384016) is N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(C(=O)NCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GFQNTNHFWAADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N2O/c1-31(15-17-7-12-20(25)21(26)13-17)22(18-8-10-19(11-9-18)24(27,28)29)23(32)30-14-16-5-3-2-4-6-16/h2-13,22H,14-15H2,1H3,(H,30,32).
What are the key properties of N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 481.35 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,4-dichlorophenyl)methyl-methylamino]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53384016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).