1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide

C14H17BrFN3O2 — CID 62815781

IUPAC1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C14H17BrFN3O2/c1-18-13(20)12-4-2-3-5-19(12)14(21)8-6-11(17)10(16)7-9(8)15/h6-7,12H,2-5,17H2,1H3,(H,18,20)
InChIKeyNLOMGYKRFDWUJO-UHFFFAOYSA-N
MW358.21 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide

1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 62815781) has the molecular formula C14H17BrFN3O2 and a molecular weight of 358.21 g/mol. Its IUPAC name is 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
PubChem CID62815781
Molecular FormulaC14H17BrFN3O2
Molecular Weight358.21 g/mol
Exact Mass357.05
IUPAC Name1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C14H17BrFN3O2/c1-18-13(20)12-4-2-3-5-19(12)14(21)8-6-11(17)10(16)7-9(8)15/h6-7,12H,2-5,17H2,1H3,(H,18,20)
InChIKeyNLOMGYKRFDWUJO-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(5-amino-2-bromo-4-fluorobenzoyl)piperidine-2-carboxylate
CID 62814561
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
1-(2-bromo-5-sulfanylbenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 107026043
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 125163469
1-(3-aminothiophene-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61106763

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide (CID 62815781) is 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is NLOMGYKRFDWUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3O2/c1-18-13(20)12-4-2-3-5-19(12)14(21)8-6-11(17)10(16)7-9(8)15/h6-7,12H,2-5,17H2,1H3,(H,18,20).
What are the key properties of 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide?
1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 358.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromo-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 62815781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).