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

C15H18FNO2 — CID 60817068

IUPAC2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C15H18FNO2/c1-2-3-4-9-17-15(19)13-8-7-12(6-5-10-18)11-14(13)16/h7-8,11,18H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyAKOQIOYBXIWCSC-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.09
Rot. Bonds5

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

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide (PubChem CID 60817068) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
PubChem CID60817068
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C15H18FNO2/c1-2-3-4-9-17-15(19)13-8-7-12(6-5-10-18)11-14(13)16/h7-8,11,18H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyAKOQIOYBXIWCSC-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817076
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60821598
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60820953
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
N-(4-amino-4-oxobutyl)-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 60864702
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63961199

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide?
The IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide (CID 60817068) is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide.
What is the SMILES notation for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide?
The canonical SMILES for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide is CCCCCNC(=O)c1ccc(C#CCO)cc1F.
What is the InChIKey of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide?
The InChIKey is AKOQIOYBXIWCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-3-4-9-17-15(19)13-8-7-12(6-5-10-18)11-14(13)16/h7-8,11,18H,2-4,9-10H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide?
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide has a molecular weight of 263.31 g/mol, XLogP of 2.09, 5 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-pentylbenzamide is sourced from PubChem (CID 60817068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).