2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide

C15H15Cl2N3O2 — CID 146108746

IUPAC2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide
SMILESCc1ccnc(C(C)NC(=O)C(O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H15Cl2N3O2/c1-8-3-4-18-14(19-8)9(2)20-15(22)13(21)10-5-11(16)7-12(17)6-10/h3-7,9,13,21H,1-2H3,(H,20,22)
InChIKeyIUGUVOSJXOMJFW-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.00
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide

2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide (PubChem CID 146108746) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide
PubChem CID146108746
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide
SMILESCc1ccnc(C(C)NC(=O)C(O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H15Cl2N3O2/c1-8-3-4-18-14(19-8)9(2)20-15(22)13(21)10-5-11(16)7-12(17)6-10/h3-7,9,13,21H,1-2H3,(H,20,22)
InChIKeyIUGUVOSJXOMJFW-UHFFFAOYSA-N
XLogP3.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methylpyrimidin-2-yl)ethanol
CID 162078577
(2S)-2-(3,5-dichlorophenyl)-2-hydroxy-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 97330137
2-fluoro-4-[2-[1-(4-methylpyrimidin-2-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 166284679
2-chloro-N-[1-[4-(difluoromethyl)pyrimidin-2-yl]ethyl]propanamide
CID 146095109
ethyl 2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoate
CID 171865570
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
2-(3,5-dichlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxyacetamide
CID 84594698
(2R)-N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 97347694
(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 99842071
N-(1-cyclopropyl-2-methoxyethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 75436958
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(3,4-difluorophenyl)acetamide
CID 97330343
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2,4,5-trifluorobenzamide
CID 75395373

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide (CID 146108746) is 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide is Cc1ccnc(C(C)NC(=O)C(O)c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide?
The InChIKey is IUGUVOSJXOMJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-8-3-4-18-14(19-8)9(2)20-15(22)13(21)10-5-11(16)7-12(17)6-10/h3-7,9,13,21H,1-2H3,(H,20,22).
What are the key properties of 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide?
2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide has a molecular weight of 340.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-hydroxy-N-[1-(4-methylpyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 146108746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).