N-(2-amino-5-fluorophenyl)but-2-ynamide

C10H9FN2O — CID 107990308

IUPACN-(2-amino-5-fluorophenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C10H9FN2O/c1-2-3-10(14)13-9-6-7(11)4-5-8(9)12/h4-6H,12H2,1H3,(H,13,14)
InChIKeyCGUBUCQAKOEYDQ-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.37
Rot. Bonds1

About N-(2-amino-5-fluorophenyl)but-2-ynamide

N-(2-amino-5-fluorophenyl)but-2-ynamide (PubChem CID 107990308) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)but-2-ynamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)but-2-ynamide
PubChem CID107990308
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-(2-amino-5-fluorophenyl)but-2-ynamide
SMILESCC#CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C10H9FN2O/c1-2-3-10(14)13-9-6-7(11)4-5-8(9)12/h4-6H,12H2,1H3,(H,13,14)
InChIKeyCGUBUCQAKOEYDQ-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-5-fluorophenyl)-2-hydroxy-5-methylbenzamide
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5-(2-amino-5-fluoroanilino)-5-oxopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)but-2-ynamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)but-2-ynamide (CID 107990308) is N-(2-amino-5-fluorophenyl)but-2-ynamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)but-2-ynamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)but-2-ynamide is CC#CC(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)but-2-ynamide?
The InChIKey is CGUBUCQAKOEYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-3-10(14)13-9-6-7(11)4-5-8(9)12/h4-6H,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-5-fluorophenyl)but-2-ynamide?
N-(2-amino-5-fluorophenyl)but-2-ynamide has a molecular weight of 192.19 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)but-2-ynamide is sourced from PubChem (CID 107990308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).