N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide

C14H12ClFN4O2 — CID 108542988

IUPACN-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1c(F)cccc1Cl)c1cnccn1
InChIInChI=1S/C14H12ClFN4O2/c15-9-2-1-3-10(16)12(9)14(22)20-7-6-19-13(21)11-8-17-4-5-18-11/h1-5,8H,6-7H2,(H,19,21)(H,20,22)
InChIKeyZNJTVHSQLYTKJD-UHFFFAOYSA-N
MW322.73 g/mol
LogP1.43
Rot. Bonds5

About N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 108542988) has the molecular formula C14H12ClFN4O2 and a molecular weight of 322.73 g/mol. Its IUPAC name is N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID108542988
Molecular FormulaC14H12ClFN4O2
Molecular Weight322.73 g/mol
Exact Mass322.06
IUPAC NameN-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1c(F)cccc1Cl)c1cnccn1
InChIInChI=1S/C14H12ClFN4O2/c15-9-2-1-3-10(16)12(9)14(22)20-7-6-19-13(21)11-8-17-4-5-18-11/h1-5,8H,6-7H2,(H,19,21)(H,20,22)
InChIKeyZNJTVHSQLYTKJD-UHFFFAOYSA-N
XLogP1.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]pyrazine-2-carboxamide
CID 108574675
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317678
2-chloro-6-fluoro-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 112993068

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 108542988) is N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNC(=O)c1c(F)cccc1Cl)c1cnccn1.
What is the InChIKey of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is ZNJTVHSQLYTKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O2/c15-9-2-1-3-10(16)12(9)14(22)20-7-6-19-13(21)11-8-17-4-5-18-11/h1-5,8H,6-7H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 322.73 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 108542988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).