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

C16H16ClNO2 — CID 897721

IUPAC(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-11-6-8-14(9-7-11)18-16(19)12(2)20-15-5-3-4-13(17)10-15/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyKLWHNGOKNPYGTQ-LBPRGKRZSA-N
MW289.76 g/mol
LogP4.05
Rot. Bonds4

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

(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 897721) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
PubChem CID897721
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO2/c1-11-6-8-14(9-7-11)18-16(19)12(2)20-15-5-3-4-13(17)10-15/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyKLWHNGOKNPYGTQ-LBPRGKRZSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647264
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide (CID 897721) is (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is KLWHNGOKNPYGTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-6-8-14(9-7-11)18-16(19)12(2)20-15-5-3-4-13(17)10-15/h3-10,12H,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide?
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide has a molecular weight of 289.76 g/mol, XLogP of 4.05, 4 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-methylphenyl)propanamide is sourced from PubChem (CID 897721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).