3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

C14H15BrFNO4 — CID 66030131

IUPAC3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1Br)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H15BrFNO4/c15-11-6-9(16)2-4-12(11)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyRWFMRBPTHCZCJL-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.34
Rot. Bonds5

About 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030131) has the molecular formula C14H15BrFNO4 and a molecular weight of 360.18 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030131
Molecular FormulaC14H15BrFNO4
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1Br)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H15BrFNO4/c15-11-6-9(16)2-4-12(11)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyRWFMRBPTHCZCJL-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
cis-(1S,3R)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675929
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
cis-(1S,3R)-3-[2-(2-bromo-4-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675875
2-(2-chloro-4-fluorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 114550159
cis-(1S,3R)-3-[4-(2,4-difluorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120675535
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
cis-(1R,3S)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120677762
cis-(1S,3R)-3-[[2-(2-phenylmethoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675144
cis-(1S,3R)-3-[(2-naphthalen-1-yloxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675430
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid (CID 66030131) is 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(COc1ccc(F)cc1Br)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RWFMRBPTHCZCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO4/c15-11-6-9(16)2-4-12(11)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 360.18 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).