N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide

C18H20ClNO4 — CID 975319

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20ClNO4/c1-11-7-14(16(23-3)10-13(11)19)20-18(21)9-12-5-6-15(22-2)17(8-12)24-4/h5-8,10H,9H2,1-4H3,(H,20,21)
InChIKeyYBKILAUGRUKLAB-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.86
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 975319) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID975319
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20ClNO4/c1-11-7-14(16(23-3)10-13(11)19)20-18(21)9-12-5-6-15(22-2)17(8-12)24-4/h5-8,10H,9H2,1-4H3,(H,20,21)
InChIKeyYBKILAUGRUKLAB-UHFFFAOYSA-N
XLogP3.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 975319) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is YBKILAUGRUKLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11-7-14(16(23-3)10-13(11)19)20-18(21)9-12-5-6-15(22-2)17(8-12)24-4/h5-8,10H,9H2,1-4H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.86, 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-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 975319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).