2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid

C14H15BrFNO4 — CID 79844426

IUPAC2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)COc2ccc(F)cc2Br)CCC1
InChIInChI=1S/C14H15BrFNO4/c15-10-6-9(16)2-3-11(10)21-8-12(18)17-14(4-1-5-14)7-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyUBDLCCWFZXDEFU-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79844426) has the molecular formula C14H15BrFNO4 and a molecular weight of 360.18 g/mol. Its IUPAC name is 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79844426
Molecular FormulaC14H15BrFNO4
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)COc2ccc(F)cc2Br)CCC1
InChIInChI=1S/C14H15BrFNO4/c15-10-6-9(16)2-3-11(10)21-8-12(18)17-14(4-1-5-14)7-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyUBDLCCWFZXDEFU-UHFFFAOYSA-N
XLogP2.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
CID 30032881
2-(2,4-difluorophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519487
2-[1-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217220
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79848711
1-[[2-(2,4-dibromophenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158229
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 119564877
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
4-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]butanoic acid
CID 43239243
2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid
CID 120521992
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid (CID 79844426) is 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)COc2ccc(F)cc2Br)CCC1.
What is the InChIKey of 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is UBDLCCWFZXDEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO4/c15-10-6-9(16)2-3-11(10)21-8-12(18)17-14(4-1-5-14)7-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 360.18 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).