(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate

C16H14BrNO4 — CID 55444267

IUPAC(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate
SMILESNC(=O)COc1ccccc1C(=O)OCc1ccccc1Br
InChIInChI=1S/C16H14BrNO4/c17-13-7-3-1-5-11(13)9-22-16(20)12-6-2-4-8-14(12)21-10-15(18)19/h1-8H,9-10H2,(H2,18,19)
InChIKeyBMSUDNQUOBZCAY-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.67
Rot. Bonds6

About (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate

(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 55444267) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID55444267
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate
SMILESNC(=O)COc1ccccc1C(=O)OCc1ccccc1Br
InChIInChI=1S/C16H14BrNO4/c17-13-7-3-1-5-11(13)9-22-16(20)12-6-2-4-8-14(12)21-10-15(18)19/h1-8H,9-10H2,(H2,18,19)
InChIKeyBMSUDNQUOBZCAY-UHFFFAOYSA-N
XLogP2.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)methyl 2-benzylbenzoate
CID 7809558
(2-phenylmethoxyphenyl)methyl 3-bromo-2-hydroxybenzoate
CID 167872103
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 46641278
(2-bromophenyl)methyl 4-amino-2-methoxybenzoate
CID 82832102
(1-phenyltetrazol-5-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 38910486
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CID 43412397
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
(2-bromo-4-fluorophenyl)methyl 2-aminobenzoate
CID 60730709
(2-bromophenyl)methyl 2-bromo-5-nitrobenzoate
CID 78917092
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55473244
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(2-bromophenyl)methoxy]benzoate
CID 41195762
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CID 112762956

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate (CID 55444267) is (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate is NC(=O)COc1ccccc1C(=O)OCc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is BMSUDNQUOBZCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c17-13-7-3-1-5-11(13)9-22-16(20)12-6-2-4-8-14(12)21-10-15(18)19/h1-8H,9-10H2,(H2,18,19).
What are the key properties of (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate?
(2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 364.20 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 55444267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).