N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide

C11H9ClFNO — CID 114390061

IUPACN-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
SMILESC#CC(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H9ClFNO/c1-3-7(2)14-11(15)9-5-4-8(12)6-10(9)13/h1,4-7H,2H3,(H,14,15)
InChIKeyULVSGNWJOGJGTG-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.23
Rot. Bonds2

About N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide

N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide (PubChem CID 114390061) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
PubChem CID114390061
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC NameN-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
SMILESC#CC(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H9ClFNO/c1-3-7(2)14-11(15)9-5-4-8(12)6-10(9)13/h1,4-7H,2H3,(H,14,15)
InChIKeyULVSGNWJOGJGTG-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.23
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

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4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
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N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
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4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-3-methylbutanoate
CID 43408111
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
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N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
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5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
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4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
N-but-3-yn-2-yl-4-fluoro-3-sulfanylbenzamide
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N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide?
The IUPAC name of N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide (CID 114390061) is N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide is C#CC(C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide?
The InChIKey is ULVSGNWJOGJGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-3-7(2)14-11(15)9-5-4-8(12)6-10(9)13/h1,4-7H,2H3,(H,14,15).
What are the key properties of N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide?
N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide has a molecular weight of 225.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 114390061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).