5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide

C13H16BrFN2O2 — CID 62814554

IUPAC5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cc(N)c(F)cc1Br)C1CCOCC1
InChIInChI=1S/C13H16BrFN2O2/c1-17(8-2-4-19-5-3-8)13(18)9-6-12(16)11(15)7-10(9)14/h6-8H,2-5,16H2,1H3
InChIKeyKWYCTILMJFUDPN-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.42
Rot. Bonds2

About 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide

5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 62814554) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID62814554
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cc(N)c(F)cc1Br)C1CCOCC1
InChIInChI=1S/C13H16BrFN2O2/c1-17(8-2-4-19-5-3-8)13(18)9-6-12(16)11(15)7-10(9)14/h6-8H,2-5,16H2,1H3
InChIKeyKWYCTILMJFUDPN-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
CID 62156412

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide (CID 62814554) is 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1cc(N)c(F)cc1Br)C1CCOCC1.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is KWYCTILMJFUDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-17(8-2-4-19-5-3-8)13(18)9-6-12(16)11(15)7-10(9)14/h6-8H,2-5,16H2,1H3.
What are the key properties of 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 331.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 62814554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).