N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide

C17H22FNO2 — CID 60802780

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C17H22FNO2/c1-2-3-4-5-6-9-17(21)19-16-11-10-14(8-7-12-20)13-15(16)18/h10-11,13,20H,2-6,9,12H2,1H3,(H,19,21)
InChIKeyPWJPRCSKVPKQSF-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.47
Rot. Bonds7

About N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide (PubChem CID 60802780) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
PubChem CID60802780
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C17H22FNO2/c1-2-3-4-5-6-9-17(21)19-16-11-10-14(8-7-12-20)13-15(16)18/h10-11,13,20H,2-6,9,12H2,1H3,(H,19,21)
InChIKeyPWJPRCSKVPKQSF-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
CID 62715820
N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]octanamide
CID 82746747

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide (CID 60802780) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(C#CCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide?
The InChIKey is PWJPRCSKVPKQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-3-4-5-6-9-17(21)19-16-11-10-14(8-7-12-20)13-15(16)18/h10-11,13,20H,2-6,9,12H2,1H3,(H,19,21).
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide has a molecular weight of 291.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide is sourced from PubChem (CID 60802780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).