N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide

C15H21BrFN3O — CID 63638162

IUPACN-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1F)C1CCCNC1
InChIInChI=1S/C15H21BrFN3O/c1-2-20(12-4-3-7-18-9-12)10-15(21)19-14-6-5-11(16)8-13(14)17/h5-6,8,12,18H,2-4,7,9-10H2,1H3,(H,19,21)
InChIKeyGXDHJDFMTCORQX-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.60
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide (PubChem CID 63638162) has the molecular formula C15H21BrFN3O and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
PubChem CID63638162
Molecular FormulaC15H21BrFN3O
Molecular Weight358.26 g/mol
Exact Mass357.09
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1F)C1CCCNC1
InChIInChI=1S/C15H21BrFN3O/c1-2-20(12-4-3-7-18-9-12)10-15(21)19-14-6-5-11(16)8-13(14)17/h5-6,8,12,18H,2-4,7,9-10H2,1H3,(H,19,21)
InChIKeyGXDHJDFMTCORQX-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
N-(4-bromo-2-fluorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607565
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63636963
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
2-[ethyl(piperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63637463
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide (CID 63638162) is N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide is CCN(CC(=O)Nc1ccc(Br)cc1F)C1CCCNC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
The InChIKey is GXDHJDFMTCORQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3O/c1-2-20(12-4-3-7-18-9-12)10-15(21)19-14-6-5-11(16)8-13(14)17/h5-6,8,12,18H,2-4,7,9-10H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide has a molecular weight of 358.26 g/mol, XLogP of 2.60, 5 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-[ethyl(piperidin-3-yl)amino]acetamide is sourced from PubChem (CID 63638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).