N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C12H16FNO3 — CID 87744602

IUPACN-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1ccc(O)cc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,3)17-14(8-15)7-9-4-5-10(16)6-11(9)13/h4-6,8,16H,7H2,1-3H3
InChIKeyMBBCYIARJWIDDF-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.22
Rot. Bonds4

About N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 87744602) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID87744602
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC NameN-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1ccc(O)cc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,3)17-14(8-15)7-9-4-5-10(16)6-11(9)13/h4-6,8,16H,7H2,1-3H3
InChIKeyMBBCYIARJWIDDF-UHFFFAOYSA-N
XLogP2.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 87744602) is N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)Cc1ccc(O)cc1F.
What is the InChIKey of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is MBBCYIARJWIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,3)17-14(8-15)7-9-4-5-10(16)6-11(9)13/h4-6,8,16H,7H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 241.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-hydroxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 87744602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).