N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide

C17H14FNO2 — CID 60817211

IUPACN-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C#CCO)cc1F
InChIInChI=1S/C17H14FNO2/c18-16-11-13(7-4-10-20)8-9-15(16)17(21)19-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,10,12H2,(H,19,21)
InChIKeyBSPLNKJJCVWRLW-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.10
Rot. Bonds3

About N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide

N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60817211) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60817211
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC NameN-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C#CCO)cc1F
InChIInChI=1S/C17H14FNO2/c18-16-11-13(7-4-10-20)8-9-15(16)17(21)19-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,10,12H2,(H,19,21)
InChIKeyBSPLNKJJCVWRLW-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.10
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-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60821598
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624
2,5-dibromo-N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-3-carboxamide
CID 107963897
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzamide
CID 116787533
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(thiolan-2-ylmethyl)benzamide
CID 80586087
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (CID 60817211) is N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is O=C(NCc1ccccc1)c1ccc(C#CCO)cc1F.
What is the InChIKey of N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is BSPLNKJJCVWRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-16-11-13(7-4-10-20)8-9-15(16)17(21)19-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,20H,10,12H2,(H,19,21).
What are the key properties of N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 283.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60817211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).