4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide

C19H23ClN2O2 — CID 141266511

IUPAC4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide
SMILESCC(C)CCCC(Oc1ccc(Cl)nc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)4-3-5-17(24-16-10-11-18(20)22-12-16)14-6-8-15(9-7-14)19(21)23/h6-13,17H,3-5H2,1-2H3,(H2,21,23)
InChIKeyLQCKHFVNTSDAJQ-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.78
Rot. Bonds8

About 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide

4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide (PubChem CID 141266511) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide.

Molecular Properties

Compound Name4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide
PubChem CID141266511
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide
SMILESCC(C)CCCC(Oc1ccc(Cl)nc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H23ClN2O2/c1-13(2)4-3-5-17(24-16-10-11-18(20)22-12-16)14-6-8-15(9-7-14)19(21)23/h6-13,17H,3-5H2,1-2H3,(H2,21,23)
InChIKeyLQCKHFVNTSDAJQ-UHFFFAOYSA-N
XLogP4.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(6-methylheptoxy)phenyl]benzamide
CID 58276365
methyl 3-[[4-[1-[(6-chloro-3-pyridinyl)oxy]-4,4-dimethylpentyl]benzoyl]amino]propanoate
CID 86615985
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
2-[(6-chloro-3-pyridinyl)oxy]pentanethioamide
CID 91022284
1-[4-(difluoromethoxy)phenyl]ethyl 6-chloropyridine-3-carboxylate
CID 60589424
4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128251
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
[1-(6-chloro-3-pyridinyl)-4-methylpentyl]hydrazine
CID 105252913
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
4-[1-[3-methoxy-4-(4-propan-2-ylphenyl)phenoxy]-3-methylbutyl]benzamide
CID 141128183

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide?
The IUPAC name of 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide (CID 141266511) is 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide.
What is the SMILES notation for 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide?
The canonical SMILES for 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide is CC(C)CCCC(Oc1ccc(Cl)nc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide?
The InChIKey is LQCKHFVNTSDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)4-3-5-17(24-16-10-11-18(20)22-12-16)14-6-8-15(9-7-14)19(21)23/h6-13,17H,3-5H2,1-2H3,(H2,21,23).
What are the key properties of 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide?
4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide has a molecular weight of 346.86 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-chloro-3-pyridinyl)oxy]-5-methylhexyl]benzamide is sourced from PubChem (CID 141266511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).