2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid

C14H15BrFNO3 — CID 120521992

IUPAC2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccc(Br)c(F)c2)CCC1
InChIInChI=1S/C14H15BrFNO3/c15-10-3-2-9(6-11(10)16)7-12(18)17-14(4-1-5-14)8-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyQGHZFWLCYAEYCY-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.64
Rot. Bonds5

About 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 120521992) has the molecular formula C14H15BrFNO3 and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid
PubChem CID120521992
Molecular FormulaC14H15BrFNO3
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Name2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2ccc(Br)c(F)c2)CCC1
InChIInChI=1S/C14H15BrFNO3/c15-10-3-2-9(6-11(10)16)7-12(18)17-14(4-1-5-14)8-13(19)20/h2-3,6H,1,4-5,7-8H2,(H,17,18)(H,19,20)
InChIKeyQGHZFWLCYAEYCY-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844426
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
N-[1-(chloromethyl)cyclohexyl]-2-(3,4-difluorophenyl)acetamide
CID 114303421
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid (CID 120521992) is 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)Cc2ccc(Br)c(F)c2)CCC1.
What is the InChIKey of 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is QGHZFWLCYAEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3/c15-10-3-2-9(6-11(10)16)7-12(18)17-14(4-1-5-14)8-13(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-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 344.18 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120521992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).