4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide

C18H14ClFN4O — CID 134503855

IUPAC4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
SMILESNc1nccnc1-c1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C18H14ClFN4O/c19-13-3-1-2-11(8-13)10-24-18(25)14-5-4-12(9-15(14)20)16-17(21)23-7-6-22-16/h1-9H,10H2,(H2,21,23)(H,24,25)
InChIKeyMGHOPEKNGSJLKY-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.45
Rot. Bonds4

About 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide

4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide (PubChem CID 134503855) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
PubChem CID134503855
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
SMILESNc1nccnc1-c1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C18H14ClFN4O/c19-13-3-1-2-11(8-13)10-24-18(25)14-5-4-12(9-15(14)20)16-17(21)23-7-6-22-16/h1-9H,10H2,(H2,21,23)(H,24,25)
InChIKeyMGHOPEKNGSJLKY-UHFFFAOYSA-N
XLogP3.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879
4-(3-aminopyrazin-2-yl)-N-[(3-ethyl-5-fluorophenyl)methyl]-2-fluorobenzamide
CID 134503941
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclopentane;ethane;methanol
CID 144840547
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
4-[2-amino-5-(2-oxopiperidin-4-yl)-3-pyridinyl]-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide;methanol
CID 144840400
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
CID 144840568
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
CID 118046170
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide (CID 134503855) is 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide is Nc1nccnc1-c1ccc(C(=O)NCc2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
The InChIKey is MGHOPEKNGSJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-3-1-2-11(8-13)10-24-18(25)14-5-4-12(9-15(14)20)16-17(21)23-7-6-22-16/h1-9H,10H2,(H2,21,23)(H,24,25).
What are the key properties of 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide?
4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide has a molecular weight of 356.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 134503855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).