(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide

C13H15F3N2O3S — CID 10337074

IUPAC(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide
SMILESCOc1ccc(CN2CC[C@@H]2C(=O)NO)cc1SC(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c1-21-10-3-2-8(6-11(10)22-13(14,15)16)7-18-5-4-9(18)12(19)17-20/h2-3,6,9,20H,4-5,7H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyADVPBDZEAHZDNO-SECBINFHSA-N
MW336.34 g/mol
LogP2.39
Rot. Bonds5

About (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide

(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide (PubChem CID 10337074) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide
PubChem CID10337074
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Name(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide
SMILESCOc1ccc(CN2CC[C@@H]2C(=O)NO)cc1SC(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c1-21-10-3-2-8(6-11(10)22-13(14,15)16)7-18-5-4-9(18)12(19)17-20/h2-3,6,9,20H,4-5,7H2,1H3,(H,17,19)/t9-/m1/s1
InChIKeyADVPBDZEAHZDNO-SECBINFHSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-butoxy-3-(trifluoromethylsulfanyl)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 10318338
(3aS,6aR)-2-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679926
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
methyl 1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 55211640
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
5-[(2-acetylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 65340072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide (CID 10337074) is (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide is COc1ccc(CN2CC[C@@H]2C(=O)NO)cc1SC(F)(F)F.
What is the InChIKey of (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide?
The InChIKey is ADVPBDZEAHZDNO-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c1-21-10-3-2-8(6-11(10)22-13(14,15)16)7-18-5-4-9(18)12(19)17-20/h2-3,6,9,20H,4-5,7H2,1H3,(H,17,19)/t9-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide?
(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide is sourced from PubChem (CID 10337074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).