N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide

C15H14ClFN2O2 — CID 70681964

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-9(2)21-13-5-3-10(7-12(13)17)15(20)19-11-4-6-14(16)18-8-11/h3-9H,1-2H3,(H,19,20)
InChIKeyNEOMABZYCJUNCC-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.91
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide (PubChem CID 70681964) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide
PubChem CID70681964
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C15H14ClFN2O2/c1-9(2)21-13-5-3-10(7-12(13)17)15(20)19-11-4-6-14(16)18-8-11/h3-9H,1-2H3,(H,19,20)
InChIKeyNEOMABZYCJUNCC-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide (CID 70681964) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide?
The InChIKey is NEOMABZYCJUNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9(2)21-13-5-3-10(7-12(13)17)15(20)19-11-4-6-14(16)18-8-11/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide is sourced from PubChem (CID 70681964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).