N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

C20H24ClNO4 — CID 100715402

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)cc1Cl
InChIInChI=1S/C20H24ClNO4/c1-11(2)13-8-14(12(3)7-17(13)24-4)20(23)22-16-10-18(25-5)15(21)9-19(16)26-6/h7-11H,1-6H3,(H,22,23)
InChIKeyYIJBMHVHXRLGCT-UHFFFAOYSA-N
MW377.87 g/mol
LogP5.05
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (PubChem CID 100715402) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
PubChem CID100715402
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)cc1Cl
InChIInChI=1S/C20H24ClNO4/c1-11(2)13-8-14(12(3)7-17(13)24-4)20(23)22-16-10-18(25-5)15(21)9-19(16)26-6/h7-11H,1-6H3,(H,22,23)
InChIKeyYIJBMHVHXRLGCT-UHFFFAOYSA-N
XLogP5.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100712843
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715391
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide (CID 100715402) is N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is COc1cc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
The InChIKey is YIJBMHVHXRLGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-11(2)13-8-14(12(3)7-17(13)24-4)20(23)22-16-10-18(25-5)15(21)9-19(16)26-6/h7-11H,1-6H3,(H,22,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide has a molecular weight of 377.87 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 100715402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).