1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid

C16H20FNO4 — CID 120538968

IUPAC1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H20FNO4/c17-12-5-7-13(8-6-12)22-11-14(19)18-16(15(20)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,19)(H,20,21)
InChIKeyJHLFMLXGVLYONI-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.50
Rot. Bonds5

About 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid

1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120538968) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120538968
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(COc1ccc(F)cc1)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C16H20FNO4/c17-12-5-7-13(8-6-12)22-11-14(19)18-16(15(20)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,19)(H,20,21)
InChIKeyJHLFMLXGVLYONI-UHFFFAOYSA-N
XLogP2.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
2-(4-fluorophenoxy)-N-(1-phenylcyclobutyl)acetamide
CID 51264441
1-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65453669
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119113831
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
1-[[2-(2-cyanophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351152

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid (CID 120538968) is 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid is O=C(COc1ccc(F)cc1)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is JHLFMLXGVLYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c17-12-5-7-13(8-6-12)22-11-14(19)18-16(15(20)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).