N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide

C12H16FNO2 — CID 114875158

IUPACN-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-3-8(2)6-12(16)14-9-4-5-11(15)10(13)7-9/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,16)
InChIKeyPHYVAERANRWMDB-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.91
Rot. Bonds4

About N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide

N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide (PubChem CID 114875158) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
PubChem CID114875158
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-3-8(2)6-12(16)14-9-4-5-11(15)10(13)7-9/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,16)
InChIKeyPHYVAERANRWMDB-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887
5-(4-chloro-3-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62965409
2-chloro-4-(3-methylpentanoylamino)benzoic acid
CID 114873676
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide (CID 114875158) is N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide is CCC(C)CC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide?
The InChIKey is PHYVAERANRWMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-8(2)6-12(16)14-9-4-5-11(15)10(13)7-9/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide?
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide has a molecular weight of 225.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 114875158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).