(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate

C16H14BrNO4 — CID 70435197

IUPAC(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate
SMILESNC(=O)c1ccccc1OC(=O)COCc1cccc(Br)c1
InChIInChI=1S/C16H14BrNO4/c17-12-5-3-4-11(8-12)9-21-10-15(19)22-14-7-2-1-6-13(14)16(18)20/h1-8H,9-10H2,(H2,18,20)
InChIKeyKPCJFBHPUGNDMN-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.67
Rot. Bonds6

About (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate

(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate (PubChem CID 70435197) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate.

Molecular Properties

Compound Name(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate
PubChem CID70435197
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate
SMILESNC(=O)c1ccccc1OC(=O)COCc1cccc(Br)c1
InChIInChI=1S/C16H14BrNO4/c17-12-5-3-4-11(8-12)9-21-10-15(19)22-14-7-2-1-6-13(14)16(18)20/h1-8H,9-10H2,(H2,18,20)
InChIKeyKPCJFBHPUGNDMN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
CID 82808702
(3-bromophenyl)methyl 2-sulfanylbenzoate
CID 107018986
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide
CID 82831786
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
bis[(3-bromophenyl)methyl] pentanedioate
CID 91708477
2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
CID 104752197
2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82826992
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 82809087
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate?
The IUPAC name of (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate (CID 70435197) is (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate.
What is the SMILES notation for (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate?
The canonical SMILES for (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate is NC(=O)c1ccccc1OC(=O)COCc1cccc(Br)c1.
What is the InChIKey of (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate?
The InChIKey is KPCJFBHPUGNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c17-12-5-3-4-11(8-12)9-21-10-15(19)22-14-7-2-1-6-13(14)16(18)20/h1-8H,9-10H2,(H2,18,20).
What are the key properties of (2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate?
(2-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate 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-carbamoylphenyl) 2-[(3-bromophenyl)methoxy]acetate is sourced from PubChem (CID 70435197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).