N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide

C18H20ClNO4 — CID 35425039

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H20ClNO4/c1-22-13-6-4-5-12(9-13)7-8-18(21)20-15-11-16(23-2)14(19)10-17(15)24-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyMHHHKGAMGGMFSX-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.94
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide (PubChem CID 35425039) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
PubChem CID35425039
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H20ClNO4/c1-22-13-6-4-5-12(9-13)7-8-18(21)20-15-11-16(23-2)14(19)10-17(15)24-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,21)
InChIKeyMHHHKGAMGGMFSX-UHFFFAOYSA-N
XLogP3.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[3-(3-methoxyphenyl)propanoylamino]benzoic acid
CID 141007935
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 17423969
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(3-chloro-4-methoxyphenyl)-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025681
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxybenzoate
CID 56577397

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide (CID 35425039) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is MHHHKGAMGGMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-13-6-4-5-12(9-13)7-8-18(21)20-15-11-16(23-2)14(19)10-17(15)24-3/h4-6,9-11H,7-8H2,1-3H3,(H,20,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 349.81 g/mol, XLogP of 3.94, 7 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)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 35425039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).