N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide

C14H13BrN2O2 — CID 103819498

IUPACN-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C14H13BrN2O2/c1-2-19-12-8-4-3-6-10(12)14(18)17-11-7-5-9-16-13(11)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyRZGJNWHLKCVMHF-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.50
Rot. Bonds4

About N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide

N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide (PubChem CID 103819498) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
PubChem CID103819498
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C14H13BrN2O2/c1-2-19-12-8-4-3-6-10(12)14(18)17-11-7-5-9-16-13(11)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyRZGJNWHLKCVMHF-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.50
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

2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
CID 114304946

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide (CID 103819498) is N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide?
The InChIKey is RZGJNWHLKCVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-19-12-8-4-3-6-10(12)14(18)17-11-7-5-9-16-13(11)15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide?
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide is sourced from PubChem (CID 103819498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).