2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid

C24H20BrNO5 — CID 167725344

IUPAC2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(Br)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C24H20BrNO5/c25-16-9-15(10-17(11-16)30-14-23(27)28)12-26-24(29)31-13-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,22H,12-14H2,(H,26,29)(H,27,28)
InChIKeyWPJDJWDQJIFBEG-UHFFFAOYSA-N
MW482.33 g/mol
LogP4.95
Rot. Bonds7

About 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid

2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid (PubChem CID 167725344) has the molecular formula C24H20BrNO5 and a molecular weight of 482.33 g/mol. Its IUPAC name is 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid
PubChem CID167725344
Molecular FormulaC24H20BrNO5
Molecular Weight482.33 g/mol
Exact Mass481.05
IUPAC Name2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(Br)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C24H20BrNO5/c25-16-9-15(10-17(11-16)30-14-23(27)28)12-26-24(29)31-13-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,22H,12-14H2,(H,26,29)(H,27,28)
InChIKeyWPJDJWDQJIFBEG-UHFFFAOYSA-N
XLogP4.95
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-5-(phenylmethoxycarbonylaminomethyl)phenoxy]acetic acid
CID 167739160
2-[3-(acetamidomethyl)-5-bromophenoxy]acetic acid
CID 167734862
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]propanoic acid
CID 167718170
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
CID 11975088
2-[[2,6-bis[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-4-pyridinyl]oxy]acetic acid
CID 100943638
(3R)-3-(3,5-dibromo-2-pyridinyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103840625

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid (CID 167725344) is 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid is O=C(O)COc1cc(Br)cc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid?
The InChIKey is WPJDJWDQJIFBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO5/c25-16-9-15(10-17(11-16)30-14-23(27)28)12-26-24(29)31-13-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-11,22H,12-14H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid?
2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid has a molecular weight of 482.33 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 167725344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).