N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide

C17H18ClNO3 — CID 925288

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-10-5-6-12(11(2)7-10)17(20)19-14-8-13(18)15(21-3)9-16(14)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyUEQNQFBUNHZIMY-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.23
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide

N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide (PubChem CID 925288) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
PubChem CID925288
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-10-5-6-12(11(2)7-10)17(20)19-14-8-13(18)15(21-3)9-16(14)22-4/h5-9H,1-4H3,(H,19,20)
InChIKeyUEQNQFBUNHZIMY-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

N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 42058107
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 17172995
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide (CID 925288) is N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide is COc1cc(OC)c(NC(=O)c2ccc(C)cc2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide?
The InChIKey is UEQNQFBUNHZIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10-5-6-12(11(2)7-10)17(20)19-14-8-13(18)15(21-3)9-16(14)22-4/h5-9H,1-4H3,(H,19,20).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide 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-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 925288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).