2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide

C18H20Cl2N2O2 — CID 71229942

IUPAC2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-12(24-17-8-7-14(19)10-16(17)20)18(23)21-11-13-5-4-6-15(9-13)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyMRZMBCDZYMDZHM-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.14
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide

2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide (PubChem CID 71229942) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
PubChem CID71229942
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-12(24-17-8-7-14(19)10-16(17)20)18(23)21-11-13-5-4-6-15(9-13)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyMRZMBCDZYMDZHM-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059
2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide
CID 71229917
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
N-(benzylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
CID 5188319
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283
1-benzyl-3-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]thiourea
CID 7010205
N-(1-benzofuran-5-ylmethyl)-2-(2,4-dichlorophenoxy)propanamide
CID 71229586
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide (CID 71229942) is 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
The InChIKey is MRZMBCDZYMDZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-12(24-17-8-7-14(19)10-16(17)20)18(23)21-11-13-5-4-6-15(9-13)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide has a molecular weight of 367.28 g/mol, XLogP of 4.14, 6 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)phenyl]methyl]propanamide is sourced from PubChem (CID 71229942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).