N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide

C17H17ClN2O — CID 59811361

IUPACN-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
SMILESCCC/C=C/c1ccc(C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-2-3-4-6-13-8-10-14(11-9-13)17(21)20-15-7-5-12-19-16(15)18/h4-12H,2-3H2,1H3,(H,20,21)/b6-4+
InChIKeyXQGXETHYFNHFMZ-GQCTYLIASA-N
MW300.79 g/mol
LogP4.80
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide

N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide (PubChem CID 59811361) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
PubChem CID59811361
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
SMILESCCC/C=C/c1ccc(C(=O)Nc2cccnc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-2-3-4-6-13-8-10-14(11-9-13)17(21)20-15-7-5-12-19-16(15)18/h4-12H,2-3H2,1H3,(H,20,21)/b6-4+
InChIKeyXQGXETHYFNHFMZ-GQCTYLIASA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyethyl)phenyl]-4-pent-1-enylbenzamide
CID 72790654
N-(2-chloro-3-pyridinyl)-4-methylsulfonylbenzamide
CID 103607627
N-ethyl-4-[(E)-pent-1-enyl]benzamide
CID 11644211
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
CID 110499911
4-methyl-N-(2-pent-1-enylphenyl)benzamide
CID 71401621
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
4-tert-butyl-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 768730
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide (CID 59811361) is N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide is CCC/C=C/c1ccc(C(=O)Nc2cccnc2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide?
The InChIKey is XQGXETHYFNHFMZ-GQCTYLIASA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-3-4-6-13-8-10-14(11-9-13)17(21)20-15-7-5-12-19-16(15)18/h4-12H,2-3H2,1H3,(H,20,21)/b6-4+.
What are the key properties of N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide?
N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide has a molecular weight of 300.79 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide is sourced from PubChem (CID 59811361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).