4-(4-chlorobut-2-ynoxy)benzamide

C11H10ClNO2 — CID 53406819

IUPAC4-(4-chlorobut-2-ynoxy)benzamide
SMILESNC(=O)c1ccc(OCC#CCCl)cc1
InChIInChI=1S/C11H10ClNO2/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6H,7-8H2,(H2,13,14)
InChIKeyZBBPCPWVSZILQS-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.41
Rot. Bonds3

About 4-(4-chlorobut-2-ynoxy)benzamide

4-(4-chlorobut-2-ynoxy)benzamide (PubChem CID 53406819) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(4-chlorobut-2-ynoxy)benzamide.

Molecular Properties

Compound Name4-(4-chlorobut-2-ynoxy)benzamide
PubChem CID53406819
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name4-(4-chlorobut-2-ynoxy)benzamide
SMILESNC(=O)c1ccc(OCC#CCCl)cc1
InChIInChI=1S/C11H10ClNO2/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6H,7-8H2,(H2,13,14)
InChIKeyZBBPCPWVSZILQS-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
4-(2-oxoethoxy)benzamide
CID 54336602
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(4-ethoxyphenyl)benzamide
CID 163572533
(4-carbamoylphenyl) chloromethanesulfonate
CID 15611750
(4-carbamoylphenyl) carbonochloridate
CID 119084646
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
4-(4-aminobut-2-enoxy)benzamide
CID 77110813
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 61076061
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872
4-(2-sulfanylpropoxy)benzamide
CID 137429548

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobut-2-ynoxy)benzamide?
The IUPAC name of 4-(4-chlorobut-2-ynoxy)benzamide (CID 53406819) is 4-(4-chlorobut-2-ynoxy)benzamide.
What is the SMILES notation for 4-(4-chlorobut-2-ynoxy)benzamide?
The canonical SMILES for 4-(4-chlorobut-2-ynoxy)benzamide is NC(=O)c1ccc(OCC#CCCl)cc1.
What is the InChIKey of 4-(4-chlorobut-2-ynoxy)benzamide?
The InChIKey is ZBBPCPWVSZILQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6H,7-8H2,(H2,13,14).
What are the key properties of 4-(4-chlorobut-2-ynoxy)benzamide?
4-(4-chlorobut-2-ynoxy)benzamide has a molecular weight of 223.66 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobut-2-ynoxy)benzamide is sourced from PubChem (CID 53406819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).