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

C15H16FNO2 — CID 83149306

IUPAC2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C#CCO)cc1F)C1CC1
InChIInChI=1S/C15H16FNO2/c1-10(12-5-6-12)15(19)17-14-7-4-11(3-2-8-18)9-13(14)16/h4,7,9-10,12,18H,5-6,8H2,1H3,(H,17,19)
InChIKeyPQRVGCBHZPHGMF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.15
Rot. Bonds3

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

2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide (PubChem CID 83149306) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
PubChem CID83149306
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(C#CCO)cc1F)C1CC1
InChIInChI=1S/C15H16FNO2/c1-10(12-5-6-12)15(19)17-14-7-4-11(3-2-8-18)9-13(14)16/h4,7,9-10,12,18H,5-6,8H2,1H3,(H,17,19)
InChIKeyPQRVGCBHZPHGMF-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 83148694
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
2-cyclopropyl-N-(2-fluoro-4-hydroxyphenyl)propanamide
CID 83154239
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181275
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 60804230
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylbenzamide
CID 60804157
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-cyclopropylurea
CID 62698555

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide (CID 83149306) is 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide is CC(C(=O)Nc1ccc(C#CCO)cc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The InChIKey is PQRVGCBHZPHGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(12-5-6-12)15(19)17-14-7-4-11(3-2-8-18)9-13(14)16/h4,7,9-10,12,18H,5-6,8H2,1H3,(H,17,19).
What are the key properties of 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide has a molecular weight of 261.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide is sourced from PubChem (CID 83149306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).