N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide

C16H13FN2O2 — CID 65436068

IUPACN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
SMILESNCC#Cc1ccc(NC(=O)c2ccc(O)cc2)cc1F
InChIInChI=1S/C16H13FN2O2/c17-15-10-13(6-3-11(15)2-1-9-18)19-16(21)12-4-7-14(20)8-5-12/h3-8,10,20H,9,18H2,(H,19,21)
InChIKeyONWCVQVNHRLHSZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.09
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide

N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide (PubChem CID 65436068) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
PubChem CID65436068
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide
SMILESNCC#Cc1ccc(NC(=O)c2ccc(O)cc2)cc1F
InChIInChI=1S/C16H13FN2O2/c17-15-10-13(6-3-11(15)2-1-9-18)19-16(21)12-4-7-14(20)8-5-12/h3-8,10,20H,9,18H2,(H,19,21)
InChIKeyONWCVQVNHRLHSZ-UHFFFAOYSA-N
XLogP2.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide 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-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 65437841
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-methylthiophene-3-carboxamide
CID 79807484
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 65435106
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-4-hydroxybenzamide
CID 81268855
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 62915077
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 65436071
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 62813798
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1-ethylpyrrole-2-carboxamide
CID 65435488
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide (CID 65436068) is N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide is NCC#Cc1ccc(NC(=O)c2ccc(O)cc2)cc1F.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide?
The InChIKey is ONWCVQVNHRLHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-15-10-13(6-3-11(15)2-1-9-18)19-16(21)12-4-7-14(20)8-5-12/h3-8,10,20H,9,18H2,(H,19,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide?
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide has a molecular weight of 284.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-4-hydroxybenzamide is sourced from PubChem (CID 65436068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).