N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide

C20H22Cl2N2O2 — CID 55609242

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-12(2)19(25)23-16-8-5-14(6-9-16)20(26)24(4)13(3)17-10-7-15(21)11-18(17)22/h5-13H,1-4H3,(H,23,25)
InChIKeyHVYALTLRTSIMRQ-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.42
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide (PubChem CID 55609242) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
PubChem CID55609242
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-12(2)19(25)23-16-8-5-14(6-9-16)20(26)24(4)13(3)17-10-7-15(21)11-18(17)22/h5-13H,1-4H3,(H,23,25)
InChIKeyHVYALTLRTSIMRQ-UHFFFAOYSA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 46588572
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95045611

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide (CID 55609242) is N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide?
The InChIKey is HVYALTLRTSIMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-12(2)19(25)23-16-8-5-14(6-9-16)20(26)24(4)13(3)17-10-7-15(21)11-18(17)22/h5-13H,1-4H3,(H,23,25).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide?
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide has a molecular weight of 393.31 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 55609242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).