2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid

C16H13BrFNO4 — CID 22093457

IUPAC2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C(=O)NCc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFNO4/c17-11-6-5-10(13(18)7-11)8-19-16(22)12-3-1-2-4-14(12)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyZOVORMKZRSIBOR-UHFFFAOYSA-N
MW382.19 g/mol
LogP2.98
Rot. Bonds6

About 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid

2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid (PubChem CID 22093457) has the molecular formula C16H13BrFNO4 and a molecular weight of 382.19 g/mol. Its IUPAC name is 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid
PubChem CID22093457
Molecular FormulaC16H13BrFNO4
Molecular Weight382.19 g/mol
Exact Mass381.00
IUPAC Name2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C(=O)NCc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrFNO4/c17-11-6-5-10(13(18)7-11)8-19-16(22)12-3-1-2-4-14(12)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
InChIKeyZOVORMKZRSIBOR-UHFFFAOYSA-N
XLogP2.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-(((4-Bromo-2-fluorobenzyl)amino)carbonyl)-5-chlorophenoxy)acetic acid
CID 16058629
{2-[(4-Bromobenzyl)carbamoyl]-5-Chlorophenoxy}acetic Acid
CID 18468153
{2-[(4-Bromo-2,3,5,6-Tetrafluorobenzyl)carbamoyl]-5-Chlorophenoxy}acetic Acid
CID 72836895
2-(4-Bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2832472
{2-[(4-Bromo-2,6-Difluorobenzyl)carbamoyl]-5-Chlorophenoxy}acetic Acid
CID 72836894
{5-Chloro-2-[(2,4,6-Tribromobenzyl)carbamoyl]phenoxy}acetic Acid
CID 121232443
2-(Morpholin-4-ylcarbonyl)phenyl 4-bromobenzoate
CID 1125854
2-[2-Methyl-6-[[2-(propylcarbamoyl)phenoxy]methyl]phenoxy]acetic acid
CID 70696285
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 2353503
2-[2-(4-Bromobenzoyl)hydrazinyl]-2-oxoethyl N-(2-methoxybenzoyl)glycinate
CID 16274619
(2-((Allylamino)carbonyl)phenoxy)acetic acid
CID 67066
4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzamide
CID 3246784

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid (CID 22093457) is 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid is O=C(O)COc1ccccc1C(=O)NCc1ccc(Br)cc1F.
What is the InChIKey of 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is ZOVORMKZRSIBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO4/c17-11-6-5-10(13(18)7-11)8-19-16(22)12-3-1-2-4-14(12)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21).
What are the key properties of 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid?
2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 382.19 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 22093457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).