4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide

C15H15BrN2O2 — CID 149293643

IUPAC4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide
SMILESNC(=O)c1ccc(Br)c2c1CC1=C2CCC(C(N)=O)C1
InChIInChI=1S/C15H15BrN2O2/c16-12-4-3-10(15(18)20)11-6-8-5-7(14(17)19)1-2-9(8)13(11)12/h3-4,7H,1-2,5-6H2,(H2,17,19)(H2,18,20)
InChIKeyXVIVIXSEUFCDBV-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.14
Rot. Bonds2

About 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide

4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide (PubChem CID 149293643) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide.

Molecular Properties

Compound Name4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide
PubChem CID149293643
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide
SMILESNC(=O)c1ccc(Br)c2c1CC1=C2CCC(C(N)=O)C1
InChIInChI=1S/C15H15BrN2O2/c16-12-4-3-10(15(18)20)11-6-8-5-7(14(17)19)1-2-9(8)13(11)12/h3-4,7H,1-2,5-6H2,(H2,17,19)(H2,18,20)
InChIKeyXVIVIXSEUFCDBV-UHFFFAOYSA-N
XLogP2.14
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide
CID 159370862
4-bromo-7-cyano-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
CID 149154027
(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
CID 130626632
7-acetyl-4-bromo-3-chloro-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid
CID 161440161
1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide
CID 158801497
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 130362598
4-bromo-2-iodo-3-methylbenzamide
CID 171033351
4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 59375022
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
CID 107275312
4-bromo-2-(4-methylpiperidin-1-yl)benzamide
CID 69307708

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide?
The IUPAC name of 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide (CID 149293643) is 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide.
What is the SMILES notation for 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide?
The canonical SMILES for 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide is NC(=O)c1ccc(Br)c2c1CC1=C2CCC(C(N)=O)C1.
What is the InChIKey of 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide?
The InChIKey is XVIVIXSEUFCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-4-3-10(15(18)20)11-6-8-5-7(14(17)19)1-2-9(8)13(11)12/h3-4,7H,1-2,5-6H2,(H2,17,19)(H2,18,20).
What are the key properties of 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide?
4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6,7,8,9-tetrahydro-5H-fluorene-1,7-dicarboxamide is sourced from PubChem (CID 149293643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).