[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate

C17H16BrNO4 — CID 7776785

IUPAC[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(O)cc1)c1ccccc1Br
InChIInChI=1S/C17H16BrNO4/c1-11(14-4-2-3-5-15(14)18)19-16(21)10-23-17(22)12-6-8-13(20)9-7-12/h2-9,11,20H,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyWYWRBQVOQCMZHC-LLVKDONJSA-N
MW378.22 g/mol
LogP3.19
Rot. Bonds5

About [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate

[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 7776785) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID7776785
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1ccc(O)cc1)c1ccccc1Br
InChIInChI=1S/C17H16BrNO4/c1-11(14-4-2-3-5-15(14)18)19-16(21)10-23-17(22)12-6-8-13(20)9-7-12/h2-9,11,20H,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyWYWRBQVOQCMZHC-LLVKDONJSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018188
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209540
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-bromobenzoate
CID 7889701
methyl 4-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965082
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526328
[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526327
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477760
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-hydroxybenzoate
CID 7776980
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate
CID 7980174

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate (CID 7776785) is [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate is C[C@@H](NC(=O)COC(=O)c1ccc(O)cc1)c1ccccc1Br.
What is the InChIKey of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is WYWRBQVOQCMZHC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-11(14-4-2-3-5-15(14)18)19-16(21)10-23-17(22)12-6-8-13(20)9-7-12/h2-9,11,20H,10H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate?
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 378.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 7776785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).