1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide

C21H18ClF3N2O3 — CID 59493027

IUPAC1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C21H18ClF3N2O3/c1-26(2)18(28)12-9-27(10-12)19(29)11-7-15-17(16(22)8-11)13-5-3-4-6-14(13)20(15,30)21(23,24)25/h3-8,12,30H,9-10H2,1-2H3
InChIKeyYNXOQQXUZYXJAV-UHFFFAOYSA-N
MW438.83 g/mol
LogP3.28
Rot. Bonds2

About 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide

1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide (PubChem CID 59493027) has the molecular formula C21H18ClF3N2O3 and a molecular weight of 438.83 g/mol. Its IUPAC name is 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
PubChem CID59493027
Molecular FormulaC21H18ClF3N2O3
Molecular Weight438.83 g/mol
Exact Mass438.10
IUPAC Name1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1
InChIInChI=1S/C21H18ClF3N2O3/c1-26(2)18(28)12-9-27(10-12)19(29)11-7-15-17(16(22)8-11)13-5-3-4-6-14(13)20(15,30)21(23,24)25/h3-8,12,30H,9-10H2,1-2H3
InChIKeyYNXOQQXUZYXJAV-UHFFFAOYSA-N
XLogP3.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azetidin-1-yl-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492809
N,N-diethyl-1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxamide
CID 59492542
Azetidin-1-yl-[9-hydroxy-4-methyl-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492575
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide
CID 59492625
[4-Chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 59492641
2-(Azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492652
2-(Azetidine-1-carbonyl)-9-hydroxy-9-(trifluoromethyl)fluorene-4-carbonitrile
CID 59492773
Methyl 1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]azetidine-3-carboxylate
CID 59492779
1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 59492841
Azetidin-1-yl-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492847
[3-(Hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
CID 59492850
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
CID 59492856

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide (CID 59493027) is 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide is CN(C)C(=O)C1CN(C(=O)c2cc(Cl)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)C1.
What is the InChIKey of 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is YNXOQQXUZYXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O3/c1-26(2)18(28)12-9-27(10-12)19(29)11-7-15-17(16(22)8-11)13-5-3-4-6-14(13)20(15,30)21(23,24)25/h3-8,12,30H,9-10H2,1-2H3.
What are the key properties of 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide?
1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 438.83 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 59493027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).