N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

C22H20F2N4O — CID 50848385

IUPACN-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(-c2nccnc2N2CCCC2)cc1
InChIInChI=1S/C22H20F2N4O/c23-18-8-7-17(19(24)13-18)14-27-22(29)16-5-3-15(4-6-16)20-21(26-10-9-25-20)28-11-1-2-12-28/h3-10,13H,1-2,11-12,14H2,(H,27,29)
InChIKeyAJBSNPRKTJFZPL-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.95
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50848385) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50848385
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc(-c2nccnc2N2CCCC2)cc1
InChIInChI=1S/C22H20F2N4O/c23-18-8-7-17(19(24)13-18)14-27-22(29)16-5-3-15(4-6-16)20-21(26-10-9-25-20)28-11-1-2-12-28/h3-10,13H,1-2,11-12,14H2,(H,27,29)
InChIKeyAJBSNPRKTJFZPL-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848279
N-[(2,4-difluorophenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135854
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-(3-morpholin-4-ylpyrazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 50848338
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (CID 50848385) is N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is O=C(NCc1ccc(F)cc1F)c1ccc(-c2nccnc2N2CCCC2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is AJBSNPRKTJFZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-18-8-7-17(19(24)13-18)14-27-22(29)16-5-3-15(4-6-16)20-21(26-10-9-25-20)28-11-1-2-12-28/h3-10,13H,1-2,11-12,14H2,(H,27,29).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50848385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).