5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide

C12H17FN2O2 — CID 114161742

IUPAC5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
SMILESNC(=O)CCCCNCc1ccc(O)c(F)c1
InChIInChI=1S/C12H17FN2O2/c13-10-7-9(4-5-11(10)16)8-15-6-2-1-3-12(14)17/h4-5,7,15-16H,1-3,6,8H2,(H2,14,17)
InChIKeyHQQIBAFWNXVKKV-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.28
Rot. Bonds7

About 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide

5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide (PubChem CID 114161742) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
PubChem CID114161742
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
SMILESNC(=O)CCCCNCc1ccc(O)c(F)c1
InChIInChI=1S/C12H17FN2O2/c13-10-7-9(4-5-11(10)16)8-15-6-2-1-3-12(14)17/h4-5,7,15-16H,1-3,6,8H2,(H2,14,17)
InChIKeyHQQIBAFWNXVKKV-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butanamide
CID 79891294
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855
4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 107685628
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
5-[[4-(difluoromethoxy)phenyl]methylamino]pentanamide
CID 106234184

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide?
The IUPAC name of 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide (CID 114161742) is 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide is NC(=O)CCCCNCc1ccc(O)c(F)c1.
What is the InChIKey of 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide?
The InChIKey is HQQIBAFWNXVKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-10-7-9(4-5-11(10)16)8-15-6-2-1-3-12(14)17/h4-5,7,15-16H,1-3,6,8H2,(H2,14,17).
What are the key properties of 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide?
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide has a molecular weight of 240.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide is sourced from PubChem (CID 114161742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).