N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide

C26H24FN3O4 — CID 155539448

IUPACN-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C26H24FN3O4/c1-34-21-12-13-23(22(16-21)26(33)28-19-6-4-5-18(27)15-19)29-25(32)17-8-10-20(11-9-17)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyPUFNFHHLLDPUQV-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.86
Rot. Bonds6

About N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide

N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide (PubChem CID 155539448) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
PubChem CID155539448
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC NameN-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C26H24FN3O4/c1-34-21-12-13-23(22(16-21)26(33)28-19-6-4-5-18(27)15-19)29-25(32)17-8-10-20(11-9-17)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32)
InChIKeyPUFNFHHLLDPUQV-UHFFFAOYSA-N
XLogP4.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(2-methoxyphenyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 155513899
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
N-[3-(methoxymethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32637877
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679220
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide (CID 155539448) is N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
The InChIKey is PUFNFHHLLDPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-34-21-12-13-23(22(16-21)26(33)28-19-6-4-5-18(27)15-19)29-25(32)17-8-10-20(11-9-17)30-14-3-2-7-24(30)31/h4-6,8-13,15-16H,2-3,7,14H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide?
N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide has a molecular weight of 461.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methoxy-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 155539448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).