(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide

C14H13Cl2N3O2 — CID 1094229

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-8-5-6-17-14(18-8)19-13(20)9(2)21-12-4-3-10(15)7-11(12)16/h3-7,9H,1-2H3,(H,17,18,19,20)/t9-/m0/s1
InChIKeyJGEDXIOPULXFSO-VIFPVBQESA-N
MW326.18 g/mol
LogP3.50
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide (PubChem CID 1094229) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
PubChem CID1094229
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl2N3O2/c1-8-5-6-17-14(18-8)19-13(20)9(2)21-12-4-3-10(15)7-11(12)16/h3-7,9H,1-2H3,(H,17,18,19,20)/t9-/m0/s1
InChIKeyJGEDXIOPULXFSO-VIFPVBQESA-N
XLogP3.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 100647396
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 119033150
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 4097411
2-(4-chloro-2-methylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 2932272
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)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide (CID 1094229) is (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide is Cc1ccnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide?
The InChIKey is JGEDXIOPULXFSO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-8-5-6-17-14(18-8)19-13(20)9(2)21-12-4-3-10(15)7-11(12)16/h3-7,9H,1-2H3,(H,17,18,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide has a molecular weight of 326.18 g/mol, XLogP of 3.50, 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-(4-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 1094229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).