(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide

C12H17FN2O2 — CID 107145713

IUPAC(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-10(14)12(17)15-8-5-6-11(16)9(13)7-8/h5-7,10,16H,2-4,14H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyOUAPHZQWPSFGME-JTQLQIEISA-N
MW240.28 g/mol
LogP1.99
Rot. Bonds5

About (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide

(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide (PubChem CID 107145713) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
PubChem CID107145713
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-2-3-4-10(14)12(17)15-8-5-6-11(16)9(13)7-8/h5-7,10,16H,2-4,14H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyOUAPHZQWPSFGME-JTQLQIEISA-N
XLogP1.99
TPSA75.35 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 ≤ 51.99
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

2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 64782247
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 60944539
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
(2S)-2-amino-N-(2,4,6-trifluorophenyl)hexanamide
CID 107145817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide (CID 107145713) is (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide?
The InChIKey is OUAPHZQWPSFGME-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-3-4-10(14)12(17)15-8-5-6-11(16)9(13)7-8/h5-7,10,16H,2-4,14H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide?
(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide has a molecular weight of 240.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide is sourced from PubChem (CID 107145713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).