3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide

C14H12BrClN2O2 — CID 107999600

IUPAC3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C14H12BrClN2O2/c1-2-20-13-6-4-10(8-17-13)18-14(19)9-3-5-12(16)11(15)7-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyPBWSTUFHBSXWHO-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.15
Rot. Bonds4

About 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide

3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide (PubChem CID 107999600) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
PubChem CID107999600
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C14H12BrClN2O2/c1-2-20-13-6-4-10(8-17-13)18-14(19)9-3-5-12(16)11(15)7-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyPBWSTUFHBSXWHO-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-(3-bromo-4-chlorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641780
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide (CID 107999600) is 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide is CCOc1ccc(NC(=O)c2ccc(Cl)c(Br)c2)cn1.
What is the InChIKey of 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
The InChIKey is PBWSTUFHBSXWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-2-20-13-6-4-10(8-17-13)18-14(19)9-3-5-12(16)11(15)7-9/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide?
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide has a molecular weight of 355.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 107999600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).