(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate

C15H12ClNO4 — CID 18138363

IUPAC(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
SMILESNC(=O)C(OC(=O)c1ccc(Cl)cc1O)c1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-10-6-7-11(12(18)8-10)15(20)21-13(14(17)19)9-4-2-1-3-5-9/h1-8,13,18H,(H2,17,19)
InChIKeyQAYNAWGSUTZPAU-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.43
Rot. Bonds4

About (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate

(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate (PubChem CID 18138363) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
PubChem CID18138363
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate
SMILESNC(=O)C(OC(=O)c1ccc(Cl)cc1O)c1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-10-6-7-11(12(18)8-10)15(20)21-13(14(17)19)9-4-2-1-3-5-9/h1-8,13,18H,(H2,17,19)
InChIKeyQAYNAWGSUTZPAU-UHFFFAOYSA-N
XLogP2.43
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-chloro-2-hydroxybenzoate
CID 7715690
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 51530614
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
benzhydryl 5-chloro-2-hydroxybenzoate
CID 931900
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 41332901
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 51485480
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
(2-amino-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 42931304
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 41471077
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 41332962

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate (CID 18138363) is (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate is NC(=O)C(OC(=O)c1ccc(Cl)cc1O)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate?
The InChIKey is QAYNAWGSUTZPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-10-6-7-11(12(18)8-10)15(20)21-13(14(17)19)9-4-2-1-3-5-9/h1-8,13,18H,(H2,17,19).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate?
(2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate has a molecular weight of 305.72 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 18138363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).