2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid

C16H20FNO3 — CID 114457210

IUPAC2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
SMILESO=C(CC1CCCCCC1)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C16H20FNO3/c17-13-9-5-8-12(16(20)21)15(13)18-14(19)10-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,18,19)(H,20,21)
InChIKeyOCCHYLUULYOMMA-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.82
Rot. Bonds4

About 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid

2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid (PubChem CID 114457210) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
PubChem CID114457210
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid
SMILESO=C(CC1CCCCCC1)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C16H20FNO3/c17-13-9-5-8-12(16(20)21)15(13)18-14(19)10-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,18,19)(H,20,21)
InChIKeyOCCHYLUULYOMMA-UHFFFAOYSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
2-(cyclohexylmethylsulfonylamino)-3-fluorobenzoic acid
CID 81499032
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
3-fluoro-2-[(2-methylazepane-1-carbonyl)amino]benzoic acid
CID 81499089
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920
1-(2-amino-3-fluorophenyl)-2-cyclohexylethanone
CID 116597683
3-fluoro-2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 81497850
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
2-(cyclohexylmethoxy)-3-fluorobenzoic acid
CID 62650140

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid (CID 114457210) is 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid is O=C(CC1CCCCCC1)Nc1c(F)cccc1C(=O)O.
What is the InChIKey of 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid?
The InChIKey is OCCHYLUULYOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c17-13-9-5-8-12(16(20)21)15(13)18-14(19)10-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid?
2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid has a molecular weight of 293.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cycloheptylacetyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 114457210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).