N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide

C20H19BrF2N2O2 — CID 55842103

IUPACN-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Br
InChIInChI=1S/C20H19BrF2N2O2/c21-16-3-1-2-4-18(16)24-19(26)12-25-9-7-13(8-10-25)20(27)15-11-14(22)5-6-17(15)23/h1-6,11,13H,7-10,12H2,(H,24,26)
InChIKeyPDGZJJIJKFCZKX-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.26
Rot. Bonds5

About N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide

N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide (PubChem CID 55842103) has the molecular formula C20H19BrF2N2O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
PubChem CID55842103
Molecular FormulaC20H19BrF2N2O2
Molecular Weight437.28 g/mol
Exact Mass436.06
IUPAC NameN-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Br
InChIInChI=1S/C20H19BrF2N2O2/c21-16-3-1-2-4-18(16)24-19(26)12-25-9-7-13(8-10-25)20(27)15-11-14(22)5-6-17(15)23/h1-6,11,13H,7-10,12H2,(H,24,26)
InChIKeyPDGZJJIJKFCZKX-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841846
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
N-(3-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841590
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 55841850
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
CID 55739387
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 171701663

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide (CID 55842103) is N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide is O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
The InChIKey is PDGZJJIJKFCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF2N2O2/c21-16-3-1-2-4-18(16)24-19(26)12-25-9-7-13(8-10-25)20(27)15-11-14(22)5-6-17(15)23/h1-6,11,13H,7-10,12H2,(H,24,26).
What are the key properties of N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide has a molecular weight of 437.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 55842103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).