N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide

C26H25Cl3N2O2 — CID 133237652

IUPACN-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C26H25Cl3N2O2/c1-17(2)26(33)31(16-18-8-11-21(27)12-9-18)24(19-6-4-3-5-7-19)25(32)30-15-20-10-13-22(28)14-23(20)29/h3-14,17,24H,15-16H2,1-2H3,(H,30,32)
InChIKeyBXUXYVIUUOSMRP-UHFFFAOYSA-N
MW503.86 g/mol
LogP6.69
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide

N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide (PubChem CID 133237652) has the molecular formula C26H25Cl3N2O2 and a molecular weight of 503.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
PubChem CID133237652
Molecular FormulaC26H25Cl3N2O2
Molecular Weight503.86 g/mol
Exact Mass502.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C26H25Cl3N2O2/c1-17(2)26(33)31(16-18-8-11-21(27)12-9-18)24(19-6-4-3-5-7-19)25(32)30-15-20-10-13-22(28)14-23(20)29/h3-14,17,24H,15-16H2,1-2H3,(H,30,32)
InChIKeyBXUXYVIUUOSMRP-UHFFFAOYSA-N
XLogP6.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238852
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237646
N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133236582
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238405
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
CID 133238116
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 133212988
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237321
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide (CID 133237652) is N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide is CC(C)C(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide?
The InChIKey is BXUXYVIUUOSMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl3N2O2/c1-17(2)26(33)31(16-18-8-11-21(27)12-9-18)24(19-6-4-3-5-7-19)25(32)30-15-20-10-13-22(28)14-23(20)29/h3-14,17,24H,15-16H2,1-2H3,(H,30,32).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide?
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide has a molecular weight of 503.86 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide is sourced from PubChem (CID 133237652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).