4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide

C19H19BrN2O3 — CID 7687877

IUPAC4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1=O
InChIInChI=1S/C19H19BrN2O3/c1-25-17-10-9-15(12-16(17)22-11-3-2-4-18(22)23)21-19(24)13-5-7-14(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,24)
InChIKeyFLYGITGMOPEDDD-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.23
Rot. Bonds4

About 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide

4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687877) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687877
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1=O
InChIInChI=1S/C19H19BrN2O3/c1-25-17-10-9-15(12-16(17)22-11-3-2-4-18(22)23)21-19(24)13-5-7-14(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,24)
InChIKeyFLYGITGMOPEDDD-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558
4-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 55692127
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687877) is 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1=O.
What is the InChIKey of 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is FLYGITGMOPEDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-25-17-10-9-15(12-16(17)22-11-3-2-4-18(22)23)21-19(24)13-5-7-14(20)8-6-13/h5-10,12H,2-4,11H2,1H3,(H,21,24).
What are the key properties of 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 403.28 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).