N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide

C18H20ClNO3 — CID 4945530

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCC(C)C)cc1Cl
InChIInChI=1S/C18H20ClNO3/c1-12(2)11-23-16-7-5-4-6-14(16)18(21)20-13-8-9-17(22-3)15(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyBOUPMGGLBBWZMX-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.64
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide

N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide (PubChem CID 4945530) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
PubChem CID4945530
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCC(C)C)cc1Cl
InChIInChI=1S/C18H20ClNO3/c1-12(2)11-23-16-7-5-4-6-14(16)18(21)20-13-8-9-17(22-3)15(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyBOUPMGGLBBWZMX-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
N-[4-(methylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 28642656
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045900
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113033766
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide (CID 4945530) is N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide is COc1ccc(NC(=O)c2ccccc2OCC(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
The InChIKey is BOUPMGGLBBWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(2)11-23-16-7-5-4-6-14(16)18(21)20-13-8-9-17(22-3)15(19)10-13/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide has a molecular weight of 333.82 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).