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

C19H21Cl2NO2 — CID 7506039

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C19H21Cl2NO2/c1-13(8-9-15-6-4-3-5-7-15)22-19(23)14(2)24-18-11-10-16(20)12-17(18)21/h3-7,10-14H,8-9H2,1-2H3,(H,22,23)/t13-,14-/m0/s1
InChIKeyUPQFCQLDFICTMZ-KBPBESRZSA-N
MW366.29 g/mol
LogP4.90
Rot. Bonds7

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

(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 7506039) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID7506039
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C19H21Cl2NO2/c1-13(8-9-15-6-4-3-5-7-15)22-19(23)14(2)24-18-11-10-16(20)12-17(18)21/h3-7,10-14H,8-9H2,1-2H3,(H,22,23)/t13-,14-/m0/s1
InChIKeyUPQFCQLDFICTMZ-KBPBESRZSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-phenylpropanoic acid
CID 3454202
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
CID 3347713
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2,5-dichlorobenzoate
CID 7723210
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 7506039) is (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is UPQFCQLDFICTMZ-KBPBESRZSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-13(8-9-15-6-4-3-5-7-15)22-19(23)14(2)24-18-11-10-16(20)12-17(18)21/h3-7,10-14H,8-9H2,1-2H3,(H,22,23)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 366.29 g/mol, XLogP of 4.90, 7 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)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 7506039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).