3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide

C26H25FN4O3 — CID 69337383

IUPAC3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2F)c1
InChIInChI=1S/C26H25FN4O3/c27-22-9-2-1-8-21(22)24(29-19-7-5-6-17(16-19)25(28)33)26(34)30-18-11-13-20(14-12-18)31-15-4-3-10-23(31)32/h1-2,5-9,11-14,16,24,29H,3-4,10,15H2,(H2,28,33)(H,30,34)
InChIKeyCZEOQMAYXCZMRT-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.23
Rot. Bonds7

About 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide

3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide (PubChem CID 69337383) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide
PubChem CID69337383
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2F)c1
InChIInChI=1S/C26H25FN4O3/c27-22-9-2-1-8-21(22)24(29-19-7-5-6-17(16-19)25(28)33)26(34)30-18-11-13-20(14-12-18)31-15-4-3-10-23(31)32/h1-2,5-9,11-14,16,24,29H,3-4,10,15H2,(H2,28,33)(H,30,34)
InChIKeyCZEOQMAYXCZMRT-UHFFFAOYSA-N
XLogP4.23
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-(aminomethyl)anilino]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124637563
3-[2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopenten-1-yl]benzamide
CID 10272515
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
CID 12018193
2-[3-(aminomethyl)anilino]-2-(2-fluorophenyl)-N-[4-[(2E)-2-hydroxyiminopiperidin-1-yl]-3-methylphenyl]acetamide
CID 10310922
3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 10294777
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139
2-[3-(aminomethyl)anilino]-N-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-2-(3-fluorophenyl)acetamide
CID 69337278
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
N'-(3-fluorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679220
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide?
The IUPAC name of 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide (CID 69337383) is 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide?
The canonical SMILES for 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide is NC(=O)c1cccc(NC(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c2ccccc2F)c1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide?
The InChIKey is CZEOQMAYXCZMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c27-22-9-2-1-8-21(22)24(29-19-7-5-6-17(16-19)25(28)33)26(34)30-18-11-13-20(14-12-18)31-15-4-3-10-23(31)32/h1-2,5-9,11-14,16,24,29H,3-4,10,15H2,(H2,28,33)(H,30,34).
What are the key properties of 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide?
3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide has a molecular weight of 460.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 69337383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).