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

C14H20BrFN2O — CID 62815256

IUPAC5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-8(2)5-9(3)18(4)14(19)10-6-13(17)12(16)7-11(10)15/h6-9H,5,17H2,1-4H3
InChIKeyDFRWCZTVVTXBLG-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.68
Rot. Bonds4

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

5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 62815256) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID62815256
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-8(2)5-9(3)18(4)14(19)10-6-13(17)12(16)7-11(10)15/h6-9H,5,17H2,1-4H3
InChIKeyDFRWCZTVVTXBLG-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 107074456
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
2-(dimethylamino)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814937
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 62815256) is 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is DFRWCZTVVTXBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-8(2)5-9(3)18(4)14(19)10-6-13(17)12(16)7-11(10)15/h6-9H,5,17H2,1-4H3.
What are the key properties of 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 331.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 62815256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).