(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide

C13H11Cl2N3O2 — CID 672613

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1
InChIInChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19)/t8-/m0/s1
InChIKeySLUKJXCZVAKLDK-QMMMGPOBSA-N
MW312.16 g/mol
LogP3.19
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide

(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide (PubChem CID 672613) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
PubChem CID672613
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1
InChIInChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19)/t8-/m0/s1
InChIKeySLUKJXCZVAKLDK-QMMMGPOBSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 4097411
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
2-(2,4-dichlorophenoxy)-N-(1H-imidazol-2-yl)propanamide
CID 60967358
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 119033150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide (CID 672613) is (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
The InChIKey is SLUKJXCZVAKLDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-8(12(19)18-13-16-5-2-6-17-13)20-11-4-3-9(14)7-10(11)15/h2-8H,1H3,(H,16,17,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide has a molecular weight of 312.16 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 672613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).