N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide

C12H17FN2O2 — CID 64782585

IUPACN-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(2)14-6-5-12(17)15-9-3-4-11(16)10(13)7-9/h3-4,7-8,14,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyQFIWECXUVDJFJD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.86
Rot. Bonds5

About N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide

N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 64782585) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID64782585
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(2)14-6-5-12(17)15-9-3-4-11(16)10(13)7-9/h3-4,7-8,14,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyQFIWECXUVDJFJD-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
N-(3-cyano-4-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 55057780
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide (CID 64782585) is N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is QFIWECXUVDJFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)14-6-5-12(17)15-9-3-4-11(16)10(13)7-9/h3-4,7-8,14,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide?
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 64782585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).