N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide

C14H17BrCl2N2O — CID 107790274

IUPACN-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide
SMILESO=C(CCC1CCCNC1)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H17BrCl2N2O/c15-10-4-5-11(14(17)13(10)16)19-12(20)6-3-9-2-1-7-18-8-9/h4-5,9,18H,1-3,6-8H2,(H,19,20)
InChIKeyIZYSOSJYTBQNBO-UHFFFAOYSA-N
MW380.11 g/mol
LogP4.47
Rot. Bonds4

About N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide

N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide (PubChem CID 107790274) has the molecular formula C14H17BrCl2N2O and a molecular weight of 380.11 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide
PubChem CID107790274
Molecular FormulaC14H17BrCl2N2O
Molecular Weight380.11 g/mol
Exact Mass377.99
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide
SMILESO=C(CCC1CCCNC1)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H17BrCl2N2O/c15-10-4-5-11(14(17)13(10)16)19-12(20)6-3-9-2-1-7-18-8-9/h4-5,9,18H,1-3,6-8H2,(H,19,20)
InChIKeyIZYSOSJYTBQNBO-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 63111622
N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
CID 103479444
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 107790306
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
N-(4-bromo-2,3-dichlorophenyl)-2-piperazin-1-ylacetamide
CID 107790162
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
1-(3-bromo-2,6-difluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 106272548
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
CID 107790601
N-(3-ethyl-1-methylpyrazol-4-yl)-3-piperidin-3-ylpropanamide
CID 107463133
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide (CID 107790274) is N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide is O=C(CCC1CCCNC1)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide?
The InChIKey is IZYSOSJYTBQNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrCl2N2O/c15-10-4-5-11(14(17)13(10)16)19-12(20)6-3-9-2-1-7-18-8-9/h4-5,9,18H,1-3,6-8H2,(H,19,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide?
N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide has a molecular weight of 380.11 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 107790274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).