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

C18H20ClNO4 — CID 17461303

IUPACN-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO4/c1-22-15-7-5-4-6-12(15)8-9-18(21)20-14-11-17(24-3)16(23-2)10-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyNIOJXRMZFSIXGL-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.94
Rot. Bonds7

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

N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 17461303) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
PubChem CID17461303
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C18H20ClNO4/c1-22-15-7-5-4-6-12(15)8-9-18(21)20-14-11-17(24-3)16(23-2)10-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyNIOJXRMZFSIXGL-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

N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
2-(2-methoxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 3375078
N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 54852878
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-(2-chloro-4,5-dimethoxyphenyl)-4-methylpentanamide
CID 43040630
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
[2-(2-chloroanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871123

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide (CID 17461303) is N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is NIOJXRMZFSIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-15-7-5-4-6-12(15)8-9-18(21)20-14-11-17(24-3)16(23-2)10-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide?
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-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-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 17461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).