N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide

C18H21ClN2O3 — CID 46485516

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C18H21ClN2O3/c1-12(24-14-10-8-13(23-4)9-11-14)18(22)20-16-7-5-6-15(19)17(16)21(2)3/h5-12H,1-4H3,(H,20,22)
InChIKeyFAPYAHIAOVZVJG-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.82
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide

N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 46485516) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID46485516
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C18H21ClN2O3/c1-12(24-14-10-8-13(23-4)9-11-14)18(22)20-16-7-5-6-15(19)17(16)21(2)3/h5-12H,1-4H3,(H,20,22)
InChIKeyFAPYAHIAOVZVJG-UHFFFAOYSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 51327229
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide (CID 46485516) is N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2cccc(Cl)c2N(C)C)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is FAPYAHIAOVZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12(24-14-10-8-13(23-4)9-11-14)18(22)20-16-7-5-6-15(19)17(16)21(2)3/h5-12H,1-4H3,(H,20,22).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide?
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 348.83 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 46485516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).