2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

C23H21BrN4O2 — CID 55721530

IUPAC2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H21BrN4O2/c24-17-8-6-16(7-9-17)21(29)19-4-1-2-5-20(19)22(30)27-18-10-14-28(15-11-18)23-25-12-3-13-26-23/h1-9,12-13,18H,10-11,14-15H2,(H,27,30)
InChIKeyLATFOLZCBOJWSE-UHFFFAOYSA-N
MW465.35 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide

2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (PubChem CID 55721530) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
PubChem CID55721530
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC Name2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1ccccc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H21BrN4O2/c24-17-8-6-16(7-9-17)21(29)19-4-1-2-5-20(19)22(30)27-18-10-14-28(15-11-18)23-25-12-3-13-26-23/h1-9,12-13,18H,10-11,14-15H2,(H,27,30)
InChIKeyLATFOLZCBOJWSE-UHFFFAOYSA-N
XLogP3.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 99807958
ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
CID 36884910
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
2-[(4-chlorophenyl)methoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705394
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide (CID 55721530) is 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ncccn2)CC1)c1ccccc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is LATFOLZCBOJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c24-17-8-6-16(7-9-17)21(29)19-4-1-2-5-20(19)22(30)27-18-10-14-28(15-11-18)23-25-12-3-13-26-23/h1-9,12-13,18H,10-11,14-15H2,(H,27,30).
What are the key properties of 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide?
2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 465.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55721530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).