N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide

C11H13BrFN3O — CID 171854873

IUPACN-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)N1CCNCC1
InChIInChI=1S/C11H13BrFN3O/c12-8-1-2-10(9(13)7-8)15-11(17)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2,(H,15,17)
InChIKeyUVUBYVKAIUPTBS-UHFFFAOYSA-N
MW302.15 g/mol
LogP2.03
Rot. Bonds1

About N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide

N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 171854873) has the molecular formula C11H13BrFN3O and a molecular weight of 302.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
PubChem CID171854873
Molecular FormulaC11H13BrFN3O
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC NameN-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)N1CCNCC1
InChIInChI=1S/C11H13BrFN3O/c12-8-1-2-10(9(13)7-8)15-11(17)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2,(H,15,17)
InChIKeyUVUBYVKAIUPTBS-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(4-bromo-2-fluorophenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 3860163
N-[(5-bromo-2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 115171561
N-(4-bromo-2-fluorophenyl)-4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010095
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146
N-(4-bromo-2-fluorophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824480
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
6-bromo-N-(2-fluorophenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 42875567

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide (CID 171854873) is N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Br)cc1F)N1CCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is UVUBYVKAIUPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O/c12-8-1-2-10(9(13)7-8)15-11(17)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2,(H,15,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 302.15 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 171854873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).