N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide

C18H15FN4O — CID 122144317

IUPACN-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C18H15FN4O/c19-15-5-7-16(8-6-15)23-18(24)14-3-1-13(2-4-14)11-22-17-12-20-9-10-21-17/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyURCYQXQGGAMCDU-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.48
Rot. Bonds5

About N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide

N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide (PubChem CID 122144317) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
PubChem CID122144317
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CNc2cnccn2)cc1
InChIInChI=1S/C18H15FN4O/c19-15-5-7-16(8-6-15)23-18(24)14-3-1-13(2-4-14)11-22-17-12-20-9-10-21-17/h1-10,12H,11H2,(H,21,22)(H,23,24)
InChIKeyURCYQXQGGAMCDU-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
4-fluoro-N-(6-pyrazin-2-yl-3-pyridinyl)benzamide
CID 169324519
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-(dimethylamino)phenyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156661
4-[[[6-(4-fluorophenyl)pyridazin-3-yl]amino]methyl]-N-pyridin-4-ylbenzamide
CID 133277145
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide
CID 133420283
N-(3,4-dichlorophenyl)-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170705
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide (CID 122144317) is N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide is O=C(Nc1ccc(F)cc1)c1ccc(CNc2cnccn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide?
The InChIKey is URCYQXQGGAMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-5-7-16(8-6-15)23-18(24)14-3-1-13(2-4-14)11-22-17-12-20-9-10-21-17/h1-10,12H,11H2,(H,21,22)(H,23,24).
What are the key properties of N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide?
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide has a molecular weight of 322.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide is sourced from PubChem (CID 122144317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).