3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide

C21H19BrN2O2 — CID 13309756

IUPAC3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C21H19BrN2O2/c1-14(2)17-9-3-4-10-18(17)23-21(25)15-7-5-8-16(13-15)26-20-12-6-11-19(22)24-20/h3-14H,1-2H3,(H,23,25)
InChIKeyIQEJCTDAUZJZIE-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.01
Rot. Bonds5

About 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide

3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 13309756) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID13309756
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C21H19BrN2O2/c1-14(2)17-9-3-4-10-18(17)23-21(25)15-7-5-8-16(13-15)26-20-12-6-11-19(22)24-20/h3-14H,1-2H3,(H,23,25)
InChIKeyIQEJCTDAUZJZIE-UHFFFAOYSA-N
XLogP6.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.01
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

3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17133124
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
CID 114304807
3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956
4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
4-bromo-3-fluoro-N-(2-propan-2-ylphenyl)benzamide
CID 47421830
3-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46756320
3-pyridin-2-yloxy-N-quinolin-8-ylbenzamide
CID 71809896

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide (CID 13309756) is 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(Oc2cccc(Br)n2)c1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is IQEJCTDAUZJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-14(2)17-9-3-4-10-18(17)23-21(25)15-7-5-8-16(13-15)26-20-12-6-11-19(22)24-20/h3-14H,1-2H3,(H,23,25).
What are the key properties of 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide?
3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 411.30 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 13309756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).