N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide

C13H16FNO3 — CID 103557015

IUPACN-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(O)c(F)c2)CCC1
InChIInChI=1S/C13H16FNO3/c1-18-13(5-2-6-13)8-12(17)15-9-3-4-11(16)10(14)7-9/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeySQRIJMXCSULUFQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.43
Rot. Bonds4

About N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide

N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557015) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557015
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(O)c(F)c2)CCC1
InChIInChI=1S/C13H16FNO3/c1-18-13(5-2-6-13)8-12(17)15-9-3-4-11(16)10(14)7-9/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeySQRIJMXCSULUFQ-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522079
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061
3-fluoro-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 103555628
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide (CID 103557015) is N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2ccc(O)c(F)c2)CCC1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is SQRIJMXCSULUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-18-13(5-2-6-13)8-12(17)15-9-3-4-11(16)10(14)7-9/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide?
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 253.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).