N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide

C14H11ClF2N2O2 — CID 105380454

IUPACN-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H11ClF2N2O2/c1-2-21-11-4-3-8(15)7-10(11)19-14(20)9-5-6-18-13(17)12(9)16/h3-7H,2H2,1H3,(H,19,20)
InChIKeyRPDOLAWVROJZGS-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.66
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide

N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380454) has the molecular formula C14H11ClF2N2O2 and a molecular weight of 312.70 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID105380454
Molecular FormulaC14H11ClF2N2O2
Molecular Weight312.70 g/mol
Exact Mass312.05
IUPAC NameN-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C14H11ClF2N2O2/c1-2-21-11-4-3-8(15)7-10(11)19-14(20)9-5-6-18-13(17)12(9)16/h3-7H,2H2,1H3,(H,19,20)
InChIKeyRPDOLAWVROJZGS-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.66
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-(2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380223
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
2,3-difluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 105380665
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
2-amino-N-(2-ethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 105384040
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide (CID 105380454) is N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide is CCOc1ccc(Cl)cc1NC(=O)c1ccnc(F)c1F.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is RPDOLAWVROJZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O2/c1-2-21-11-4-3-8(15)7-10(11)19-14(20)9-5-6-18-13(17)12(9)16/h3-7H,2H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide?
N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 312.70 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).