N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide

C18H20ClNO4 — CID 42905073

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO4/c1-11-5-7-13(8-6-11)24-12(2)18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-10,12H,1-4H3,(H,20,21)
InChIKeyKHIBQNAHBDOQFK-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.07
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 42905073) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID42905073
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCOc1cc(NC(=O)C(C)Oc2ccc(C)cc2)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO4/c1-11-5-7-13(8-6-11)24-12(2)18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-10,12H,1-4H3,(H,20,21)
InChIKeyKHIBQNAHBDOQFK-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203937
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propanamide
CID 9181052
(2R)-2-(4-bromophenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 7376119
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 53267001
(2R)-2-(4-methylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 7372209
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
(2S)-N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 38916474
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 46771651
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide (CID 42905073) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide is COc1cc(NC(=O)C(C)Oc2ccc(C)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is KHIBQNAHBDOQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11-5-7-13(8-6-11)24-12(2)18(21)20-15-10-16(22-3)14(19)9-17(15)23-4/h5-10,12H,1-4H3,(H,20,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 349.81 g/mol, XLogP of 4.07, 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)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 42905073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).