N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide

C26H19ClF2N4O2 — CID 3202003

IUPACN-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1cnccn1
InChIInChI=1S/C26H19ClF2N4O2/c27-22-4-2-1-3-18(22)16-33(26(35)23-15-30-13-14-31-23)24(17-5-7-19(28)8-6-17)25(34)32-21-11-9-20(29)10-12-21/h1-15,24H,16H2,(H,32,34)
InChIKeyBMNNVNUCMCLLLT-UHFFFAOYSA-N
MW492.91 g/mol
LogP5.43
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 3202003) has the molecular formula C26H19ClF2N4O2 and a molecular weight of 492.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID3202003
Molecular FormulaC26H19ClF2N4O2
Molecular Weight492.91 g/mol
Exact Mass492.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C(c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1cnccn1
InChIInChI=1S/C26H19ClF2N4O2/c27-22-4-2-1-3-18(22)16-33(26(35)23-15-30-13-14-31-23)24(17-5-7-19(28)8-6-17)25(34)32-21-11-9-20(29)10-12-21/h1-15,24H,16H2,(H,32,34)
InChIKeyBMNNVNUCMCLLLT-UHFFFAOYSA-N
XLogP5.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.91
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202126
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434676
N-benzyl-N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 1435572
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
N-[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 1435551
N-benzyl-N-[1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3202118
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(2-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1434766
N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435515
N-[(1S)-1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435530
N-benzyl-N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3201992
N-[2-(4-fluoroanilino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 3823696
N-(4-ethylphenyl)-N-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3202136

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide (CID 3202003) is N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1)C(c1ccc(F)cc1)N(Cc1ccccc1Cl)C(=O)c1cnccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is BMNNVNUCMCLLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF2N4O2/c27-22-4-2-1-3-18(22)16-33(26(35)23-15-30-13-14-31-23)24(17-5-7-19(28)8-6-17)25(34)32-21-11-9-20(29)10-12-21/h1-15,24H,16H2,(H,32,34).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 492.91 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-(4-fluoroanilino)-1-(4-fluorophenyl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3202003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).