2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide

C18H21ClN2O2 — CID 53282907

IUPAC2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(23-17-7-5-4-6-16(17)19)18(22)20-12-14-8-10-15(11-9-14)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyRUOUQWISAHFQHY-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.49
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide

2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide (PubChem CID 53282907) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
PubChem CID53282907
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H21ClN2O2/c1-13(23-17-7-5-4-6-16(17)19)18(22)20-12-14-8-10-15(11-9-14)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyRUOUQWISAHFQHY-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43058982
2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
CID 60528119
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
2-(2,4-dichlorophenoxy)-N-[[3-(dimethylamino)phenyl]methyl]propanamide
CID 71229942

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide (CID 53282907) is 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
The InChIKey is RUOUQWISAHFQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13(23-17-7-5-4-6-16(17)19)18(22)20-12-14-8-10-15(11-9-14)21(2)3/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 53282907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).