4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide

C16H17FN2O4 — CID 177004804

IUPAC4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(COc2ccc(ON(O)F)cc2)cc1
InChIInChI=1S/C16H17FN2O4/c1-18(2)16(20)13-5-3-12(4-6-13)11-22-14-7-9-15(10-8-14)23-19(17)21/h3-10,21H,11H2,1-2H3
InChIKeyQZDKDZRWQAFBLC-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.84
Rot. Bonds6

About 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide

4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide (PubChem CID 177004804) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide
PubChem CID177004804
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(COc2ccc(ON(O)F)cc2)cc1
InChIInChI=1S/C16H17FN2O4/c1-18(2)16(20)13-5-3-12(4-6-13)11-22-14-7-9-15(10-8-14)23-19(17)21/h3-10,21H,11H2,1-2H3
InChIKeyQZDKDZRWQAFBLC-UHFFFAOYSA-N
XLogP2.84
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide
CID 78880908
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
N,N-dimethyl-4-[[[N'-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111874948
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
N,N-dimethyl-4-(pyridin-2-yloxymethyl)benzamide
CID 75402934
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
CID 134014692

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide (CID 177004804) is 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(COc2ccc(ON(O)F)cc2)cc1.
What is the InChIKey of 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide?
The InChIKey is QZDKDZRWQAFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-18(2)16(20)13-5-3-12(4-6-13)11-22-14-7-9-15(10-8-14)23-19(17)21/h3-10,21H,11H2,1-2H3.
What are the key properties of 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide?
4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide has a molecular weight of 320.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177004804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).