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

C15H14FN3O2 — CID 60803296

IUPACN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C15H14FN3O2/c16-13-10-12(2-1-9-20)3-4-14(13)18-15(21)5-7-19-8-6-17-11-19/h3-4,6,8,10-11,20H,5,7,9H2,(H,18,21)
InChIKeySFLKXIFHKOHVKD-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.39
Rot. Bonds4

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

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide (PubChem CID 60803296) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
PubChem CID60803296
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1ccc(C#CCO)cc1F
InChIInChI=1S/C15H14FN3O2/c16-13-10-12(2-1-9-20)3-4-14(13)18-15(21)5-7-19-8-6-17-11-19/h3-4,6,8,10-11,20H,5,7,9H2,(H,18,21)
InChIKeySFLKXIFHKOHVKD-UHFFFAOYSA-N
XLogP1.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 60803947
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
CID 62715820
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802778
2-acetamido-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 54922713
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopropanecarboxamide
CID 60803979
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(2-bromo-4-sulfamoylphenyl)-3-imidazol-1-ylpropanamide
CID 61130314
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62915060

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide (CID 60803296) is N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1ccc(C#CCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide?
The InChIKey is SFLKXIFHKOHVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-13-10-12(2-1-9-20)3-4-14(13)18-15(21)5-7-19-8-6-17-11-19/h3-4,6,8,10-11,20H,5,7,9H2,(H,18,21).
What are the key properties of N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide?
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide has a molecular weight of 287.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 60803296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).