1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide

C23H21FN2O5 — CID 166553583

IUPAC1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide
SMILESCOc1ccc2cc(OCC3(C(=O)NO)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1
InChIInChI=1S/C23H21FN2O5/c1-30-19-8-4-17-11-20(9-5-16(17)10-19)31-14-23(22(28)25-29)12-26(13-23)21(27)15-2-6-18(24)7-3-15/h2-11,29H,12-14H2,1H3,(H,25,28)
InChIKeyIGZPONGKMHMBAF-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide

1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide (PubChem CID 166553583) has the molecular formula C23H21FN2O5 and a molecular weight of 424.43 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide
PubChem CID166553583
Molecular FormulaC23H21FN2O5
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Name1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide
SMILESCOc1ccc2cc(OCC3(C(=O)NO)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1
InChIInChI=1S/C23H21FN2O5/c1-30-19-8-4-17-11-20(9-5-16(17)10-19)31-14-23(22(28)25-29)12-26(13-23)21(27)15-2-6-18(24)7-3-15/h2-11,29H,12-14H2,1H3,(H,25,28)
InChIKeyIGZPONGKMHMBAF-UHFFFAOYSA-N
XLogP3.01
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.01
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

ethyl 3-[[4-(4-fluorophenyl)phenoxy]methyl]-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322219
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
1-(4-chlorobenzoyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
CID 46213255
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
[(3S,4S)-1-(4-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 69458522
[(3R,4R)-1-(4-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11416561

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide (CID 166553583) is 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide is COc1ccc2cc(OCC3(C(=O)NO)CN(C(=O)c4ccc(F)cc4)C3)ccc2c1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide?
The InChIKey is IGZPONGKMHMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O5/c1-30-19-8-4-17-11-20(9-5-16(17)10-19)31-14-23(22(28)25-29)12-26(13-23)21(27)15-2-6-18(24)7-3-15/h2-11,29H,12-14H2,1H3,(H,25,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-hydroxy-3-[(6-methoxynaphthalen-2-yl)oxymethyl]azetidine-3-carboxamide is sourced from PubChem (CID 166553583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).