2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid

C23H24FNO3 — CID 58420615

IUPAC2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1cc2c3c(c1)CCCCC3CCCC2
InChIInChI=1S/C23H24FNO3/c24-20-13-18(9-10-19(20)23(27)28)25-22(26)17-11-15-7-3-1-5-14-6-2-4-8-16(12-17)21(14)15/h9-14H,1-8H2,(H,25,26)(H,27,28)
InChIKeySKWAFZSANAMTLP-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.31
Rot. Bonds3

About 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid

2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid (PubChem CID 58420615) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid
PubChem CID58420615
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)c1cc2c3c(c1)CCCCC3CCCC2
InChIInChI=1S/C23H24FNO3/c24-20-13-18(9-10-19(20)23(27)28)25-22(26)17-11-15-7-3-1-5-14-6-2-4-8-16(12-17)21(14)15/h9-14H,1-8H2,(H,25,26)(H,27,28)
InChIKeySKWAFZSANAMTLP-UHFFFAOYSA-N
XLogP5.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid with MolForge

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Related Compounds

methyl 4-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)-2-fluorobenzoate
CID 58420582
methyl 4-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)-2-methoxybenzoate
CID 58420614
ethyl 2,6-difluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoate
CID 67391042
4-[(3-aminobenzoyl)amino]-2-fluorobenzoic acid
CID 103869169
2-fluoro-4-[(4-hydroxybenzoyl)amino]benzoic acid
CID 107792860
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
2-chloro-5-[(4-cyclohexylphenyl)carbamoyl]-3-fluorobenzoic acid
CID 147616775
6-(5,6,6a,7,8,9-hexahydro-4H-phenalene-2-carbonylamino)pyridine-3-carboxylic acid
CID 58420605
2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
2-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 115485174
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791445
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid?
The IUPAC name of 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid (CID 58420615) is 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid?
The canonical SMILES for 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid is O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc2c3c(c1)CCCCC3CCCC2.
What is the InChIKey of 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid?
The InChIKey is SKWAFZSANAMTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c24-20-13-18(9-10-19(20)23(27)28)25-22(26)17-11-15-7-3-1-5-14-6-2-4-8-16(12-17)21(14)15/h9-14H,1-8H2,(H,25,26)(H,27,28).
What are the key properties of 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid?
2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid has a molecular weight of 381.45 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)benzoic acid is sourced from PubChem (CID 58420615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).