N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide

C16H13FN2O2 — CID 60804128

IUPACN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
SMILESNCC#Cc1ccc(NC(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C16H13FN2O2/c17-13-10-11(4-3-9-18)7-8-14(13)19-16(21)12-5-1-2-6-15(12)20/h1-2,5-8,10,20H,9,18H2,(H,19,21)
InChIKeyBVDKVLCTKBYLRH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.09
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide

N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide (PubChem CID 60804128) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
PubChem CID60804128
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
SMILESNCC#Cc1ccc(NC(=O)c2ccccc2O)c(F)c1
InChIInChI=1S/C16H13FN2O2/c17-13-10-11(4-3-9-18)7-8-14(13)19-16(21)12-5-1-2-6-15(12)20/h1-2,5-8,10,20H,9,18H2,(H,19,21)
InChIKeyBVDKVLCTKBYLRH-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)-2-fluorophenyl]-2-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

[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
CID 60814279
5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
CID 65310924
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]furan-3-carboxamide
CID 60804299
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-1,2-oxazole-5-carboxamide
CID 60804103
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595348
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-tert-butylurea
CID 54922971
1-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-3-cyclopropylurea
CID 62698555
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 60804116
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide (CID 60804128) is N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide is NCC#Cc1ccc(NC(=O)c2ccccc2O)c(F)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide?
The InChIKey is BVDKVLCTKBYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-13-10-11(4-3-9-18)7-8-14(13)19-16(21)12-5-1-2-6-15(12)20/h1-2,5-8,10,20H,9,18H2,(H,19,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide?
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-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)-2-fluorophenyl]-2-hydroxybenzamide is sourced from PubChem (CID 60804128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).