N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide

C20H23ClFNO3 — CID 55897046

IUPACN-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CCCOc2cccc(Cl)c2)cc1F
InChIInChI=1S/C20H23ClFNO3/c1-23(11-4-12-26-17-6-3-5-16(21)14-17)20(24)10-8-15-7-9-19(25-2)18(22)13-15/h3,5-7,9,13-14H,4,8,10-12H2,1-2H3
InChIKeyMWYXSXNMMOBBRA-UHFFFAOYSA-N
MW379.86 g/mol
LogP4.35
Rot. Bonds9

About N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide

N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide (PubChem CID 55897046) has the molecular formula C20H23ClFNO3 and a molecular weight of 379.86 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
PubChem CID55897046
Molecular FormulaC20H23ClFNO3
Molecular Weight379.86 g/mol
Exact Mass379.14
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CCCOc2cccc(Cl)c2)cc1F
InChIInChI=1S/C20H23ClFNO3/c1-23(11-4-12-26-17-6-3-5-16(21)14-17)20(24)10-8-15-7-9-19(25-2)18(22)13-15/h3,5-7,9,13-14H,4,8,10-12H2,1-2H3
InChIKeyMWYXSXNMMOBBRA-UHFFFAOYSA-N
XLogP4.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-fluoro-4-methoxyphenyl)propanoyl-methylamino]butanoic acid
CID 119173051
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
N-[2-(3-chlorophenoxy)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropanamide
CID 112803756
N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
N-[3-(3-chlorophenoxy)propyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-methylpropanamide
CID 55956173
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705
N-[3-(4-chlorophenoxy)propyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 55898481
N-[3-(3-chlorophenoxy)propyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119739733
1-(3-fluoro-4-methoxyphenyl)pentan-3-one
CID 43175845
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide (CID 55897046) is N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)CCCOc2cccc(Cl)c2)cc1F.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is MWYXSXNMMOBBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO3/c1-23(11-4-12-26-17-6-3-5-16(21)14-17)20(24)10-8-15-7-9-19(25-2)18(22)13-15/h3,5-7,9,13-14H,4,8,10-12H2,1-2H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide?
N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 379.86 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 55897046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).