[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate

C17H16BrNO3 — CID 2570012

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccccc1
InChIInChI=1S/C17H16BrNO3/c18-15-8-6-13(7-9-15)10-17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)
InChIKeyVRZYYBRALMSATR-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.85
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 2570012) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID2570012
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccccc1
InChIInChI=1S/C17H16BrNO3/c18-15-8-6-13(7-9-15)10-17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)
InChIKeyVRZYYBRALMSATR-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903282
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-bromophenyl)acetate
CID 9342541
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2569917
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2536174
2-[2-[(4-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328220
[2-(2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2570002
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 2099230

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 2570012) is [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate is O=C(COC(=O)Cc1ccc(Br)cc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is VRZYYBRALMSATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c18-15-8-6-13(7-9-15)10-17(21)22-12-16(20)19-11-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 362.22 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 2570012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).