2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide

C23H19ClF2NO2P — CID 143972670

IUPAC2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)P)c2ccccc2-3)cc1Cl
InChIInChI=1S/C23H19ClF2NO2P/c1-27(2)21(28)17-10-8-14(12-20(17)24)13-7-9-16-15-5-3-4-6-18(15)22(29,19(16)11-13)23(25,26)30/h3-12,29H,30H2,1-2H3
InChIKeyBXNCMFIDJMBFAX-UHFFFAOYSA-N
MW445.83 g/mol
LogP5.39
Rot. Bonds3

About 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide

2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide (PubChem CID 143972670) has the molecular formula C23H19ClF2NO2P and a molecular weight of 445.83 g/mol. Its IUPAC name is 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide
PubChem CID143972670
Molecular FormulaC23H19ClF2NO2P
Molecular Weight445.83 g/mol
Exact Mass445.08
IUPAC Name2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)P)c2ccccc2-3)cc1Cl
InChIInChI=1S/C23H19ClF2NO2P/c1-27(2)21(28)17-10-8-14(12-20(17)24)13-7-9-16-15-5-3-4-6-18(15)22(29,19(16)11-13)23(25,26)30/h3-12,29H,30H2,1-2H3
InChIKeyBXNCMFIDJMBFAX-UHFFFAOYSA-N
XLogP5.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide (CID 143972670) is 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2ccc3c(c2)C(O)(C(F)(F)P)c2ccccc2-3)cc1Cl.
What is the InChIKey of 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide?
The InChIKey is BXNCMFIDJMBFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2NO2P/c1-27(2)21(28)17-10-8-14(12-20(17)24)13-7-9-16-15-5-3-4-6-18(15)22(29,19(16)11-13)23(25,26)30/h3-12,29H,30H2,1-2H3.
What are the key properties of 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide?
2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide has a molecular weight of 445.83 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[9-[difluoro(phosphanyl)methyl]-9-hydroxyfluoren-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 143972670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).