N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide

C15H14FNO3 — CID 88525773

IUPACN-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide
SMILESO=CNc1ccc(O)c(CCOc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3/c16-12-1-4-14(5-2-12)20-8-7-11-9-13(17-10-18)3-6-15(11)19/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyKONZPWIVLDRBGC-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.72
Rot. Bonds6

About N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide

N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide (PubChem CID 88525773) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide
PubChem CID88525773
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC NameN-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide
SMILESO=CNc1ccc(O)c(CCOc2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO3/c16-12-1-4-14(5-2-12)20-8-7-11-9-13(17-10-18)3-6-15(11)19/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyKONZPWIVLDRBGC-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
CID 115299069
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide
CID 25468956
5-(4-fluorophenoxy)pentanal
CID 54288315
5-amino-2-[(4-fluorophenoxy)methyl]phenol
CID 117219728
[2-[2-(4-fluorophenoxy)ethyl]phenoxy]phosphane
CID 67944076
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
N-[4-(2-methylprop-2-enoxy)phenyl]formamide
CID 10559618
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
N-(4-prop-2-ynoxyphenyl)formamide
CID 130718440

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide?
The IUPAC name of N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide (CID 88525773) is N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide?
The canonical SMILES for N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide is O=CNc1ccc(O)c(CCOc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide?
The InChIKey is KONZPWIVLDRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-12-1-4-14(5-2-12)20-8-7-11-9-13(17-10-18)3-6-15(11)19/h1-6,9-10,19H,7-8H2,(H,17,18).
What are the key properties of N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide?
N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide has a molecular weight of 275.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenoxy)ethyl]-4-hydroxyphenyl]formamide is sourced from PubChem (CID 88525773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).