4-butoxy-N-(6-chloro-3-pyridinyl)benzamide

C16H17ClN2O2 — CID 54787952

IUPAC4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-10-21-14-7-4-12(5-8-14)16(20)19-13-6-9-15(17)18-11-13/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKeyLISNHETYYLMBCY-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.17
Rot. Bonds6

About 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide

4-butoxy-N-(6-chloro-3-pyridinyl)benzamide (PubChem CID 54787952) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
PubChem CID54787952
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-butoxy-N-(6-chloro-3-pyridinyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O2/c1-2-3-10-21-14-7-4-12(5-8-14)16(20)19-13-6-9-15(17)18-11-13/h4-9,11H,2-3,10H2,1H3,(H,19,20)
InChIKeyLISNHETYYLMBCY-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
N-[(6-chloro-3-pyridinyl)carbamothioyl]-4-pentoxybenzamide
CID 54788165
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
6-chloro-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59786831
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
The IUPAC name of 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide (CID 54787952) is 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
The canonical SMILES for 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
The InChIKey is LISNHETYYLMBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-3-10-21-14-7-4-12(5-8-14)16(20)19-13-6-9-15(17)18-11-13/h4-9,11H,2-3,10H2,1H3,(H,19,20).
What are the key properties of 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide?
4-butoxy-N-(6-chloro-3-pyridinyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(6-chloro-3-pyridinyl)benzamide is sourced from PubChem (CID 54787952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).