(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide

C19H15Cl2N3O3 — CID 52523221

IUPAC(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C19H15Cl2N3O3/c1-11(27-16-7-3-6-15(20)17(16)21)19(26)24-13-9-22-18(23-10-13)12-4-2-5-14(25)8-12/h2-11,25H,1H3,(H,24,26)/t11-/m1/s1
InChIKeyFWHQGQYDLUVHPE-LLVKDONJSA-N
MW404.25 g/mol
LogP4.56
Rot. Bonds5

About (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide

(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide (PubChem CID 52523221) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
PubChem CID52523221
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC Name(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C19H15Cl2N3O3/c1-11(27-16-7-3-6-15(20)17(16)21)19(26)24-13-9-22-18(23-10-13)12-4-2-5-14(25)8-12/h2-11,25H,1H3,(H,24,26)/t11-/m1/s1
InChIKeyFWHQGQYDLUVHPE-LLVKDONJSA-N
XLogP4.56
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523220
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2S)-2-(2,3-dichlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 27233794
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
CID 47090619
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
N-(4-cyanophenyl)-2-(2,3-dichlorophenoxy)propanamide
CID 42990430
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
2-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide (CID 52523221) is (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide is C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The InChIKey is FWHQGQYDLUVHPE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c1-11(27-16-7-3-6-15(20)17(16)21)19(26)24-13-9-22-18(23-10-13)12-4-2-5-14(25)8-12/h2-11,25H,1H3,(H,24,26)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide has a molecular weight of 404.25 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 52523221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).