N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide

C20H20BrFN2O3 — CID 112824480

IUPACN-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C20H20BrFN2O3/c1-27-16-5-2-13(3-6-16)19(25)14-8-10-24(11-9-14)20(26)23-18-7-4-15(21)12-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,23,26)
InChIKeyXPCOQHZYMZFTAX-UHFFFAOYSA-N
MW435.29 g/mol
LogP4.72
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide

N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide (PubChem CID 112824480) has the molecular formula C20H20BrFN2O3 and a molecular weight of 435.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
PubChem CID112824480
Molecular FormulaC20H20BrFN2O3
Molecular Weight435.29 g/mol
Exact Mass434.06
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C20H20BrFN2O3/c1-27-16-5-2-13(3-6-16)19(25)14-8-10-24(11-9-14)20(26)23-18-7-4-15(21)12-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,23,26)
InChIKeyXPCOQHZYMZFTAX-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromo-2-fluorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475454
N-(2,4-difluorophenyl)-4-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 24761982
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
N-(4-bromo-2-fluorophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519545
[1-(4-bromo-2-nitrophenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 55501451
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824546
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
(9R,9aR)-9-(4-bromophenyl)-N-(2-fluoro-4-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 177228366
N-(4-bromo-2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 38095881
[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473760

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide (CID 112824480) is N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Br)cc3F)CC2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
The InChIKey is XPCOQHZYMZFTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2O3/c1-27-16-5-2-13(3-6-16)19(25)14-8-10-24(11-9-14)20(26)23-18-7-4-15(21)12-17(18)22/h2-7,12,14H,8-11H2,1H3,(H,23,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide has a molecular weight of 435.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 112824480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).