N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

C20H20BrFN2O2 — CID 108549654

IUPACN-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C20H20BrFN2O2/c21-18-4-2-1-3-17(18)20(26)24-11-9-16(10-12-24)23-19(25)13-14-5-7-15(22)8-6-14/h1-8,16H,9-13H2,(H,23,25)
InChIKeyNIKUJBQFIGFQSV-UHFFFAOYSA-N
MW419.29 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 108549654) has the molecular formula C20H20BrFN2O2 and a molecular weight of 419.29 g/mol. Its IUPAC name is N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID108549654
Molecular FormulaC20H20BrFN2O2
Molecular Weight419.29 g/mol
Exact Mass418.07
IUPAC NameN-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C20H20BrFN2O2/c21-18-4-2-1-3-17(18)20(26)24-11-9-16(10-12-24)23-19(25)13-14-5-7-15(22)8-6-14/h1-8,16H,9-13H2,(H,23,25)
InChIKeyNIKUJBQFIGFQSV-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549660
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
N-[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 106544278
2-bromo-5-fluoro-N-[3-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 55839305
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
tert-butyl N-[3-[[1-(2-bromobenzoyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919588

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (CID 108549654) is N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is NIKUJBQFIGFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2O2/c21-18-4-2-1-3-17(18)20(26)24-11-9-16(10-12-24)23-19(25)13-14-5-7-15(22)8-6-14/h1-8,16H,9-13H2,(H,23,25).
What are the key properties of N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 419.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 108549654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).