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

C18H18ClNO3 — CID 30395136

IUPAC(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO3/c1-3-11-22-16-9-7-15(8-10-16)20-18(21)13(2)23-17-6-4-5-14(19)12-17/h3-10,12-13H,1,11H2,2H3,(H,20,21)/t13-/m0/s1
InChIKeySLMGCMXWCZHXJZ-ZDUSSCGKSA-N
MW331.80 g/mol
LogP4.31
Rot. Bonds7

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

(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 30395136) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID30395136
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClNO3/c1-3-11-22-16-9-7-15(8-10-16)20-18(21)13(2)23-17-6-4-5-14(19)12-17/h3-10,12-13H,1,11H2,2H3,(H,20,21)/t13-/m0/s1
InChIKeySLMGCMXWCZHXJZ-ZDUSSCGKSA-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'}

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Related Compounds

2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (CID 30395136) is (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is SLMGCMXWCZHXJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-3-11-22-16-9-7-15(8-10-16)20-18(21)13(2)23-17-6-4-5-14(19)12-17/h3-10,12-13H,1,11H2,2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(4-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 (2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 30395136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).