N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide

C20H24Cl2N2O — CID 16598723

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(c2ccc(Cl)cc2)C(C)C)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O/c1-12(2)19(15-5-7-16(21)8-6-15)23-11-18(25)24-20-14(4)9-13(3)10-17(20)22/h5-10,12,19,23H,11H2,1-4H3,(H,24,25)
InChIKeyZRTJMCCKXICNKC-UHFFFAOYSA-N
MW379.33 g/mol
LogP5.54
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 16598723) has the molecular formula C20H24Cl2N2O and a molecular weight of 379.33 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID16598723
Molecular FormulaC20H24Cl2N2O
Molecular Weight379.33 g/mol
Exact Mass378.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CNC(c2ccc(Cl)cc2)C(C)C)c(Cl)c1
InChIInChI=1S/C20H24Cl2N2O/c1-12(2)19(15-5-7-16(21)8-6-15)23-11-18(25)24-20-14(4)9-13(3)10-17(20)22/h5-10,12,19,23H,11H2,1-4H3,(H,24,25)
InChIKeyZRTJMCCKXICNKC-UHFFFAOYSA-N
XLogP5.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.33
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391703
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
(2S,3S)-2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099900
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375622
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9254112
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344
N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131471
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16598693
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865308

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide (CID 16598723) is N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide is Cc1cc(C)c(NC(=O)CNC(c2ccc(Cl)cc2)C(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is ZRTJMCCKXICNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O/c1-12(2)19(15-5-7-16(21)8-6-15)23-11-18(25)24-20-14(4)9-13(3)10-17(20)22/h5-10,12,19,23H,11H2,1-4H3,(H,24,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 379.33 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 16598723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).