N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide

C14H12ClFN2O2 — CID 2477363

IUPACN-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O2/c1-2-20-14-10(4-3-7-17-14)13(19)18-9-5-6-12(16)11(15)8-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyBTDUFIHQHCMDDJ-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.53
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide (PubChem CID 2477363) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide
PubChem CID2477363
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12ClFN2O2/c1-2-20-14-10(4-3-7-17-14)13(19)18-9-5-6-12(16)11(15)8-9/h3-8H,2H2,1H3,(H,18,19)
InChIKeyBTDUFIHQHCMDDJ-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide (CID 2477363) is N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is BTDUFIHQHCMDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-2-20-14-10(4-3-7-17-14)13(19)18-9-5-6-12(16)11(15)8-9/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 294.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 2477363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).