N-but-2-ynyl-4-fluorobenzamide

C11H10FNO — CID 115866848

IUPACN-but-2-ynyl-4-fluorobenzamide
SMILESCC#CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,8H2,1H3,(H,13,14)
InChIKeyMGSMLIWTFMTYGT-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.58
Rot. Bonds2

About N-but-2-ynyl-4-fluorobenzamide

N-but-2-ynyl-4-fluorobenzamide (PubChem CID 115866848) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is N-but-2-ynyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-but-2-ynyl-4-fluorobenzamide
PubChem CID115866848
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC NameN-but-2-ynyl-4-fluorobenzamide
SMILESCC#CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,8H2,1H3,(H,13,14)
InChIKeyMGSMLIWTFMTYGT-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(18F)fluoro-N-prop-2-ynyl(18F)benzamide
CID 87412012
N-but-2-ynyl-3,4-dihydroxybenzamide
CID 103957730
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
N-but-2-ynyl-3-hydroxy-4-methylbenzamide
CID 115993868
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-bromo-N-but-2-ynyl-3-(trifluoromethyl)benzamide
CID 115866905
N-but-2-ynylpyridine-4-carboxamide;ethane;molecular hydrogen;propane
CID 143542162
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
4-fluorobenzohydrazide
CID 9972
4-fluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576870
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-4-fluorobenzamide?
The IUPAC name of N-but-2-ynyl-4-fluorobenzamide (CID 115866848) is N-but-2-ynyl-4-fluorobenzamide.
What is the SMILES notation for N-but-2-ynyl-4-fluorobenzamide?
The canonical SMILES for N-but-2-ynyl-4-fluorobenzamide is CC#CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-but-2-ynyl-4-fluorobenzamide?
The InChIKey is MGSMLIWTFMTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h4-7H,8H2,1H3,(H,13,14).
What are the key properties of N-but-2-ynyl-4-fluorobenzamide?
N-but-2-ynyl-4-fluorobenzamide has a molecular weight of 191.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-4-fluorobenzamide is sourced from PubChem (CID 115866848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).