2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide

C20H23Cl2FN2O2 — CID 110281695

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(CCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H23Cl2FN2O2/c1-13(27-19-9-6-15(21)12-17(19)22)20(26)24-18(10-11-25(2)3)14-4-7-16(23)8-5-14/h4-9,12-13,18H,10-11H2,1-3H3,(H,24,26)
InChIKeyBSTFVHBCDZXENF-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.71
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide

2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide (PubChem CID 110281695) has the molecular formula C20H23Cl2FN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide
PubChem CID110281695
Molecular FormulaC20H23Cl2FN2O2
Molecular Weight413.32 g/mol
Exact Mass412.11
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NC(CCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H23Cl2FN2O2/c1-13(27-19-9-6-15(21)12-17(19)22)20(26)24-18(10-11-25(2)3)14-4-7-16(23)8-5-14/h4-9,12-13,18H,10-11H2,1-3H3,(H,24,26)
InChIKeyBSTFVHBCDZXENF-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
2-(2,4-dichlorophenoxy)-N'-(4-fluorophenyl)propanehydrazide
CID 118727201
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
(2R)-2-(2,4-dichlorophenoxy)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25358227
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
CID 3347713
(2S)-2-(4-bromo-2-chlorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8752841
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
CID 96532897
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide (CID 110281695) is 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(CCN(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide?
The InChIKey is BSTFVHBCDZXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2FN2O2/c1-13(27-19-9-6-15(21)12-17(19)22)20(26)24-18(10-11-25(2)3)14-4-7-16(23)8-5-14/h4-9,12-13,18H,10-11H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide has a molecular weight of 413.32 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide is sourced from PubChem (CID 110281695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).