N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide

C19H17ClF3NO4 — CID 59492991

IUPACN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide
SMILESCN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO
InChIInChI=1S/C19H17ClF3NO4/c1-24(16(26)10-25)6-7-28-11-8-14-17(15(20)9-11)12-4-2-3-5-13(12)18(14,27)19(21,22)23/h2-5,8-9,25,27H,6-7,10H2,1H3
InChIKeyBEWTYNQKIAWBTE-UHFFFAOYSA-N
MW415.80 g/mol
LogP2.95
Rot. Bonds5

About N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide

N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide (PubChem CID 59492991) has the molecular formula C19H17ClF3NO4 and a molecular weight of 415.80 g/mol. Its IUPAC name is N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide
PubChem CID59492991
Molecular FormulaC19H17ClF3NO4
Molecular Weight415.80 g/mol
Exact Mass415.08
IUPAC NameN-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide
SMILESCN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO
InChIInChI=1S/C19H17ClF3NO4/c1-24(16(26)10-25)6-7-28-11-8-14-17(15(20)9-11)12-4-2-3-5-13(12)18(14,27)19(21,22)23/h2-5,8-9,25,27H,6-7,10H2,1H3
InChIKeyBEWTYNQKIAWBTE-UHFFFAOYSA-N
XLogP2.95
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide (CID 59492991) is N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide is CN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO.
What is the InChIKey of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide?
The InChIKey is BEWTYNQKIAWBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO4/c1-24(16(26)10-25)6-7-28-11-8-14-17(15(20)9-11)12-4-2-3-5-13(12)18(14,27)19(21,22)23/h2-5,8-9,25,27H,6-7,10H2,1H3.
What are the key properties of N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide?
N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide has a molecular weight of 415.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 59492991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).