N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide

C13H11ClN2O2 — CID 175264730

IUPACN-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide
SMILESCc1ccc(C(=O)NOc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H11ClN2O2/c1-9-2-4-10(5-3-9)13(17)16-18-12-6-11(14)7-15-8-12/h2-8H,1H3,(H,16,17)
InChIKeyGQSUDRWHCDAXSA-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.77
Rot. Bonds3

About N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide

N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide (PubChem CID 175264730) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide
PubChem CID175264730
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide
SMILESCc1ccc(C(=O)NOc2cncc(Cl)c2)cc1
InChIInChI=1S/C13H11ClN2O2/c1-9-2-4-10(5-3-9)13(17)16-18-12-6-11(14)7-15-8-12/h2-8H,1H3,(H,16,17)
InChIKeyGQSUDRWHCDAXSA-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
(5-chloro-3-pyridinyl) 3-methyl-4-propan-2-ylbenzoate
CID 145367175
methyl 2-bromo-3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 81092460
3-[(5-chloro-3-pyridinyl)oxymethyl]benzohydrazide
CID 64601823
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarbothioamide
CID 64600403
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
N-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 114835711
4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-methylbenzamide
CID 171537783
(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
CID 177378862

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide?
The IUPAC name of N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide (CID 175264730) is N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide.
What is the SMILES notation for N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide?
The canonical SMILES for N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide is Cc1ccc(C(=O)NOc2cncc(Cl)c2)cc1.
What is the InChIKey of N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide?
The InChIKey is GQSUDRWHCDAXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-2-4-10(5-3-9)13(17)16-18-12-6-11(14)7-15-8-12/h2-8H,1H3,(H,16,17).
What are the key properties of N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide?
N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide has a molecular weight of 262.70 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzamide is sourced from PubChem (CID 175264730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).