N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide

C23H23FN4O2 — CID 47738642

IUPACN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)cc1F
InChIInChI=1S/C23H23FN4O2/c1-16-25-11-13-27(16)21-10-5-17(14-20(21)24)15-26-23(30)18-6-8-19(9-7-18)28-12-3-2-4-22(28)29/h5-11,13-14H,2-4,12,15H2,1H3,(H,26,30)
InChIKeyAMTAVVVTEBNHRQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.77
Rot. Bonds5

About N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 47738642) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID47738642
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)cc1F
InChIInChI=1S/C23H23FN4O2/c1-16-25-11-13-27(16)21-10-5-17(14-20(21)24)15-26-23(30)18-6-8-19(9-7-18)28-12-3-2-4-22(28)29/h5-11,13-14H,2-4,12,15H2,1H3,(H,26,30)
InChIKeyAMTAVVVTEBNHRQ-UHFFFAOYSA-N
XLogP3.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 47933313
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119863331
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
3,4,5,6-tetrachloro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 71885785
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47767998
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 60584922
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 139001128
3-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylbutanamide
CID 120503327

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 47738642) is N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is AMTAVVVTEBNHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-25-11-13-27(16)21-10-5-17(14-20(21)24)15-26-23(30)18-6-8-19(9-7-18)28-12-3-2-4-22(28)29/h5-11,13-14H,2-4,12,15H2,1H3,(H,26,30).
What are the key properties of N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 47738642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).