2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide

C13H14FNO2 — CID 60816257

IUPAC2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C13H14FNO2/c1-2-7-15-13(17)11-6-5-10(4-3-8-16)9-12(11)14/h5-6,9,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyICYOTRZPWXDUDH-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.31
Rot. Bonds3

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

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide (PubChem CID 60816257) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
PubChem CID60816257
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C13H14FNO2/c1-2-7-15-13(17)11-6-5-10(4-3-8-16)9-12(11)14/h5-6,9,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyICYOTRZPWXDUDH-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.31
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-pentylbenzamide
CID 60817068
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60821598
N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817076
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
4-(3-aminoprop-1-ynyl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 60820857
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60820953
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
The IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide (CID 60816257) is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
The canonical SMILES for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide is CCCNC(=O)c1ccc(C#CCO)cc1F.
What is the InChIKey of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
The InChIKey is ICYOTRZPWXDUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-7-15-13(17)11-6-5-10(4-3-8-16)9-12(11)14/h5-6,9,16H,2,7-8H2,1H3,(H,15,17).
What are the key properties of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide?
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide has a molecular weight of 235.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide is sourced from PubChem (CID 60816257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).