N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide

C14H14ClN3O2 — CID 174484934

IUPACN-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide
SMILESCC(O)(Cc1ccccc1)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C14H14ClN3O2/c1-14(20,9-10-5-3-2-4-6-10)12(19)17-11-7-8-16-13(15)18-11/h2-8,20H,9H2,1H3,(H,16,17,18,19)
InChIKeyGSGULTGSNKZKBF-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.06
Rot. Bonds4

About N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide

N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide (PubChem CID 174484934) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide
PubChem CID174484934
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide
SMILESCC(O)(Cc1ccccc1)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C14H14ClN3O2/c1-14(20,9-10-5-3-2-4-6-10)12(19)17-11-7-8-16-13(15)18-11/h2-8,20H,9H2,1H3,(H,16,17,18,19)
InChIKeyGSGULTGSNKZKBF-UHFFFAOYSA-N
XLogP2.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 116795046
N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
CID 116795036
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
2-hydroxy-N-[6-(4-hydroxyphenyl)pyrimidin-4-yl]-2-methyl-3-phenylpropanamide
CID 174484937
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
N-(2-chloropyrimidin-4-yl)-2-iodobenzamide
CID 116795168

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide (CID 174484934) is N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide is CC(O)(Cc1ccccc1)C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide?
The InChIKey is GSGULTGSNKZKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-14(20,9-10-5-3-2-4-6-10)12(19)17-11-7-8-16-13(15)18-11/h2-8,20H,9H2,1H3,(H,16,17,18,19).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide?
N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide has a molecular weight of 291.74 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-hydroxy-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 174484934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).