N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide

C18H17ClN2O3 — CID 22216806

IUPACN-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)N(N)C(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H17ClN2O3/c1-2-3-4-5-6-15-11-12-16(24-15)18(23)21(20)17(22)13-7-9-14(19)10-8-13/h7-12H,2-4,20H2,1H3
InChIKeyZXKDXRKACPPCPN-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.63
Rot. Bonds4

About N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide

N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide (PubChem CID 22216806) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide
PubChem CID22216806
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)N(N)C(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H17ClN2O3/c1-2-3-4-5-6-15-11-12-16(24-15)18(23)21(20)17(22)13-7-9-14(19)10-8-13/h7-12H,2-4,20H2,1H3
InChIKeyZXKDXRKACPPCPN-UHFFFAOYSA-N
XLogP3.63
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide?
The IUPAC name of N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide (CID 22216806) is N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide.
What is the SMILES notation for N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide?
The canonical SMILES for N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide is CCCCC#Cc1ccc(C(=O)N(N)C(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide?
The InChIKey is ZXKDXRKACPPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-3-4-5-6-15-11-12-16(24-15)18(23)21(20)17(22)13-7-9-14(19)10-8-13/h7-12H,2-4,20H2,1H3.
What are the key properties of N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide?
N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide has a molecular weight of 344.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-5-hex-1-ynylfuran-2-carbohydrazide is sourced from PubChem (CID 22216806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).