N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide

C14H19BrFN3O — CID 43607565

IUPACN-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1F)C1CCNCC1
InChIInChI=1S/C14H19BrFN3O/c1-19(11-4-6-17-7-5-11)9-14(20)18-13-3-2-10(15)8-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyQVEZCHCFYBXXLY-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.21
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 43607565) has the molecular formula C14H19BrFN3O and a molecular weight of 344.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID43607565
Molecular FormulaC14H19BrFN3O
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Br)cc1F)C1CCNCC1
InChIInChI=1S/C14H19BrFN3O/c1-19(11-4-6-17-7-5-11)9-14(20)18-13-3-2-10(15)8-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyQVEZCHCFYBXXLY-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607437
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
CID 104979596
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(4-chloro-2-fluorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702201

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide (CID 43607565) is N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide is CN(CC(=O)Nc1ccc(Br)cc1F)C1CCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is QVEZCHCFYBXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O/c1-19(11-4-6-17-7-5-11)9-14(20)18-13-3-2-10(15)8-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 344.23 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 43607565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).