N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide

C17H17Cl2NO2 — CID 774907

IUPACN-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-11(2)10-22-14-6-3-12(4-7-14)17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyNCXSIWGNJPRKRC-UHFFFAOYSA-N
MW338.23 g/mol
LogP5.28
Rot. Bonds5

About N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide

N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 774907) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
PubChem CID774907
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO2/c1-11(2)10-22-14-6-3-12(4-7-14)17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyNCXSIWGNJPRKRC-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
2-methylpropyl 2-[4-[(2,5-dichlorophenyl)carbamoyl]phenoxy]propanoate
CID 4064798
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22776079
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 17351668
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23908443
N-(2-benzoyl-4-chlorophenyl)-3-(2-methylpropoxy)benzamide
CID 4512457
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide (CID 774907) is N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is NCXSIWGNJPRKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-11(2)10-22-14-6-3-12(4-7-14)17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide?
N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 338.23 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 774907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).