2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide

C17H18ClNO3 — CID 170322536

IUPAC2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NOC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12(14-6-4-3-5-7-14)22-19-17(20)13(2)21-16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)
InChIKeyMOMIDAWDDVOLDW-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide

2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide (PubChem CID 170322536) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
PubChem CID170322536
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NOC(C)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-12(14-6-4-3-5-7-14)22-19-17(20)13(2)21-16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20)
InChIKeyMOMIDAWDDVOLDW-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenoxy)-N-(1-phenylpropyl)propanamide
CID 43911516
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
CID 112551058
(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide (CID 170322536) is 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NOC(C)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide?
The InChIKey is MOMIDAWDDVOLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12(14-6-4-3-5-7-14)22-19-17(20)13(2)21-16-10-8-15(18)9-11-16/h3-13H,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide?
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide is sourced from PubChem (CID 170322536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).