(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide

C14H19Cl2NO2 — CID 2169643

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(15)8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18)/t9-,10-/m0/s1
InChIKeyHQPJVGJCWARKBZ-UWVGGRQHSA-N
MW304.22 g/mol
LogP4.07
Rot. Bonds6

About (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide (PubChem CID 2169643) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
PubChem CID2169643
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(15)8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18)/t9-,10-/m0/s1
InChIKeyHQPJVGJCWARKBZ-UWVGGRQHSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
CID 3347713
2-[2-[(1S)-1-aminoethyl]-4-chlorophenoxy]-N-pentan-2-ylpropanamide
CID 63366584
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
N-butan-2-yl-2-[4-chloro-2-(hydroxymethyl)phenoxy]propanamide
CID 43324858

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide (CID 2169643) is (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide is CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The InChIKey is HQPJVGJCWARKBZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(15)8-12(13)16/h6-10H,4-5H2,1-3H3,(H,17,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide has a molecular weight of 304.22 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide is sourced from PubChem (CID 2169643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).