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

C16H13FN2O2 — CID 107016183

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESNCC#Cc1ccccc1NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H13FN2O2/c17-12-7-8-13(15(20)10-12)16(21)19-14-6-2-1-4-11(14)5-3-9-18/h1-2,4,6-8,10,20H,9,18H2,(H,19,21)
InChIKeyRRBXRBPVLXIQKT-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.09
Rot. Bonds2

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

N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 107016183) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
PubChem CID107016183
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
SMILESNCC#Cc1ccccc1NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C16H13FN2O2/c17-12-7-8-13(15(20)10-12)16(21)19-14-6-2-1-4-11(14)5-3-9-18/h1-2,4,6-8,10,20H,9,18H2,(H,19,21)
InChIKeyRRBXRBPVLXIQKT-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'}

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
N-(2-aminophenyl)-4-fluoro-2-hydroxybenzamide
CID 107012970
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
CID 60804128
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106688746
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60803050
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946
N-(2,3-difluorophenyl)-4-fluoro-2-hydroxybenzamide
CID 103888089
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
CID 60813557
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 54923009

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide (CID 107016183) is N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide is NCC#Cc1ccccc1NC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is RRBXRBPVLXIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-7-8-13(15(20)10-12)16(21)19-14-6-2-1-4-11(14)5-3-9-18/h1-2,4,6-8,10,20H,9,18H2,(H,19,21).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-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-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107016183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).