N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide

C17H18ClNO3 — CID 9083792

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1C
InChIInChI=1S/C17H18ClNO3/c1-10-5-6-12(8-15(10)21-3)17(20)19-14-7-11(2)13(18)9-16(14)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyPJBADDOUWUCXLJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.23
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide (PubChem CID 9083792) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
PubChem CID9083792
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1C
InChIInChI=1S/C17H18ClNO3/c1-10-5-6-12(8-15(10)21-3)17(20)19-14-7-11(2)13(18)9-16(14)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyPJBADDOUWUCXLJ-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
N-(4-chloro-2-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide (CID 9083792) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)ccc1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is PJBADDOUWUCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10-5-6-12(8-15(10)21-3)17(20)19-14-7-11(2)13(18)9-16(14)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 319.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 9083792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).