N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide

C18H20ClNO3 — CID 2668911

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C18H20ClNO3/c1-12-10-16(17(23-3)11-15(12)19)20-18(21)9-6-13-4-7-14(22-2)8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyFWQDEBFXWSLDSY-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.24
Rot. Bonds6

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

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 2668911) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID2668911
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C18H20ClNO3/c1-12-10-16(17(23-3)11-15(12)19)20-18(21)9-6-13-4-7-14(22-2)8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21)
InChIKeyFWQDEBFXWSLDSY-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide (CID 2668911) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is FWQDEBFXWSLDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12-10-16(17(23-3)11-15(12)19)20-18(21)9-6-13-4-7-14(22-2)8-5-13/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.24, 6 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-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2668911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).