(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide

C17H18ClNO2 — CID 966199

IUPAC(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-13-7-9-15(10-8-13)19-17(20)12(2)21-16-6-4-5-14(18)11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyBDYPBRXNSIXFDV-LBPRGKRZSA-N
MW303.79 g/mol
LogP4.31
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide

(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide (PubChem CID 966199) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
PubChem CID966199
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-13-7-9-15(10-8-13)19-17(20)12(2)21-16-6-4-5-14(18)11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyBDYPBRXNSIXFDV-LBPRGKRZSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
ethyl 2-chloro-4-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]benzoate
CID 92685751
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide (CID 966199) is (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide?
The InChIKey is BDYPBRXNSIXFDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-13-7-9-15(10-8-13)19-17(20)12(2)21-16-6-4-5-14(18)11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 966199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).