N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide

C18H20ClNO3 — CID 53266530

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C18H20ClNO3/c1-11-5-7-15(9-12(11)2)23-13(3)18(21)20-14-6-8-17(22-4)16(19)10-14/h5-10,13H,1-4H3,(H,20,21)
InChIKeyNVJGXFZMQIYHMC-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.37
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 53266530) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID53266530
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)cc1Cl
InChIInChI=1S/C18H20ClNO3/c1-11-5-7-15(9-12(11)2)23-13(3)18(21)20-14-6-8-17(22-4)16(19)10-14/h5-10,13H,1-4H3,(H,20,21)
InChIKeyNVJGXFZMQIYHMC-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
N-(3-chloro-4-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953719
2-(4-bromophenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 2953462
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738303

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide (CID 53266530) is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide is COc1ccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is NVJGXFZMQIYHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-11-5-7-15(9-12(11)2)23-13(3)18(21)20-14-6-8-17(22-4)16(19)10-14/h5-10,13H,1-4H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide?
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).