6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide

C15H16ClNO — CID 159669319

IUPAC6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide
SMILES[2H]C1(C(N)=O)CCCC2=C1Cc1cc(C)c(Cl)cc12
InChIInChI=1S/C15H16ClNO/c1-8-5-9-6-13-10(12(9)7-14(8)16)3-2-4-11(13)15(17)18/h5,7,11H,2-4,6H2,1H3,(H2,17,18)/i11D
InChIKeySRYPFVLBNZUUPO-WORMITQPSA-N
MW262.76 g/mol
LogP3.24
Rot. Bonds1

About 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide

6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide (PubChem CID 159669319) has the molecular formula C15H16ClNO and a molecular weight of 262.76 g/mol. Its IUPAC name is 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide.

Molecular Properties

Compound Name6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide
PubChem CID159669319
Molecular FormulaC15H16ClNO
Molecular Weight262.76 g/mol
Exact Mass262.10
IUPAC Name6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide
SMILES[2H]C1(C(N)=O)CCCC2=C1Cc1cc(C)c(Cl)cc12
InChIInChI=1S/C15H16ClNO/c1-8-5-9-6-13-10(12(9)7-14(8)16)3-2-4-11(13)15(17)18/h5,7,11H,2-4,6H2,1H3,(H2,17,18)/i11D
InChIKeySRYPFVLBNZUUPO-WORMITQPSA-N
XLogP3.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide?
The IUPAC name of 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide (CID 159669319) is 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide.
What is the SMILES notation for 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide?
The canonical SMILES for 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide is [2H]C1(C(N)=O)CCCC2=C1Cc1cc(C)c(Cl)cc12.
What is the InChIKey of 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide?
The InChIKey is SRYPFVLBNZUUPO-WORMITQPSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-8-5-9-6-13-10(12(9)7-14(8)16)3-2-4-11(13)15(17)18/h5,7,11H,2-4,6H2,1H3,(H2,17,18)/i11D.
What are the key properties of 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide?
6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide has a molecular weight of 262.76 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-deuterio-7-methyl-2,3,4,9-tetrahydrofluorene-1-carboxamide is sourced from PubChem (CID 159669319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).