N-but-2-ynyl-2,6-dichlorobenzamide

C11H9Cl2NO — CID 143542112

IUPACN-but-2-ynyl-2,6-dichlorobenzamide
SMILESCC#CCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NO/c1-2-3-7-14-11(15)10-8(12)5-4-6-9(10)13/h4-6H,7H2,1H3,(H,14,15)
InChIKeyFOKOASDKMZLGTL-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.75
Rot. Bonds2

About N-but-2-ynyl-2,6-dichlorobenzamide

N-but-2-ynyl-2,6-dichlorobenzamide (PubChem CID 143542112) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is N-but-2-ynyl-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-but-2-ynyl-2,6-dichlorobenzamide
PubChem CID143542112
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC NameN-but-2-ynyl-2,6-dichlorobenzamide
SMILESCC#CCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NO/c1-2-3-7-14-11(15)10-8(12)5-4-6-9(10)13/h4-6H,7H2,1H3,(H,14,15)
InChIKeyFOKOASDKMZLGTL-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.75
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

2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
N-but-2-ynyl-3-chloropyridine-4-carboxamide
CID 115866885
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
2-chloro-N-ethyl-6-(trifluoromethyl)benzamide
CID 123341300
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
2-[[(2,6-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429500
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
N-but-2-ynyl-2-iodobenzamide
CID 115866883
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
CID 115977322
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2,6-dichlorobenzamide?
The IUPAC name of N-but-2-ynyl-2,6-dichlorobenzamide (CID 143542112) is N-but-2-ynyl-2,6-dichlorobenzamide.
What is the SMILES notation for N-but-2-ynyl-2,6-dichlorobenzamide?
The canonical SMILES for N-but-2-ynyl-2,6-dichlorobenzamide is CC#CCNC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-but-2-ynyl-2,6-dichlorobenzamide?
The InChIKey is FOKOASDKMZLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-2-3-7-14-11(15)10-8(12)5-4-6-9(10)13/h4-6H,7H2,1H3,(H,14,15).
What are the key properties of N-but-2-ynyl-2,6-dichlorobenzamide?
N-but-2-ynyl-2,6-dichlorobenzamide has a molecular weight of 242.10 g/mol, XLogP of 2.75, 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-2,6-dichlorobenzamide is sourced from PubChem (CID 143542112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).