(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide

C18H18ClNO3 — CID 26239058

IUPAC(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO3/c1-3-11-22-17-6-4-5-15(12-17)20-18(21)13(2)23-16-9-7-14(19)8-10-16/h3-10,12-13H,1,11H2,2H3,(H,20,21)/t13-/m1/s1
InChIKeyDNIWFUMKEFUBIB-CYBMUJFWSA-N
MW331.80 g/mol
LogP4.31
Rot. Bonds7

About (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide

(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide (PubChem CID 26239058) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
PubChem CID26239058
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO3/c1-3-11-22-17-6-4-5-15(12-17)20-18(21)13(2)23-16-9-7-14(19)8-10-16/h3-10,12-13H,1,11H2,2H3,(H,20,21)/t13-/m1/s1
InChIKeyDNIWFUMKEFUBIB-CYBMUJFWSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 40865849
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
2-(4-chlorophenoxy)-2-methyl-N-(3-prop-2-enoxyphenyl)propanamide
CID 95162921
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 17122510
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide (CID 26239058) is (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide is C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
The InChIKey is DNIWFUMKEFUBIB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-3-11-22-17-6-4-5-15(12-17)20-18(21)13(2)23-16-9-7-14(19)8-10-16/h3-10,12-13H,1,11H2,2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide has a molecular weight of 331.80 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 26239058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).