N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide

C14H11BrCl2N2O2 — CID 60710404

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H11BrCl2N2O2/c1-2-21-12-10(15)6-8(16)7-11(12)19-14(20)9-4-3-5-18-13(9)17/h3-7H,2H2,1H3,(H,19,20)
InChIKeyBLJCPZQEKHITCO-UHFFFAOYSA-N
MW390.06 g/mol
LogP4.80
Rot. Bonds4

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide (PubChem CID 60710404) has the molecular formula C14H11BrCl2N2O2 and a molecular weight of 390.06 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
PubChem CID60710404
Molecular FormulaC14H11BrCl2N2O2
Molecular Weight390.06 g/mol
Exact Mass387.94
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H11BrCl2N2O2/c1-2-21-12-10(15)6-8(16)7-11(12)19-14(20)9-4-3-5-18-13(9)17/h3-7H,2H2,1H3,(H,19,20)
InChIKeyBLJCPZQEKHITCO-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.06
LogP ≤ 54.80
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

N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 60710210
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-nitrobenzamide
CID 26159725
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
CID 60843123
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide (CID 60710404) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide is CCOc1c(Br)cc(Cl)cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is BLJCPZQEKHITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O2/c1-2-21-12-10(15)6-8(16)7-11(12)19-14(20)9-4-3-5-18-13(9)17/h3-7H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 390.06 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 60710404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).