3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide

C16H16BrFN2O — CID 106544263

IUPAC3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H16BrFN2O/c1-10-9-11(20(2)3)7-8-14(10)19-16(21)12-5-4-6-13(17)15(12)18/h4-9H,1-3H3,(H,19,21)
InChIKeyBMCIQDACXAKOOM-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.21
Rot. Bonds3

About 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide

3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide (PubChem CID 106544263) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
PubChem CID106544263
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
SMILESCc1cc(N(C)C)ccc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C16H16BrFN2O/c1-10-9-11(20(2)3)7-8-14(10)19-16(21)12-5-4-6-13(17)15(12)18/h4-9H,1-3H3,(H,19,21)
InChIKeyBMCIQDACXAKOOM-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106544738
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 107518241
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide (CID 106544263) is 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide is Cc1cc(N(C)C)ccc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide?
The InChIKey is BMCIQDACXAKOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10-9-11(20(2)3)7-8-14(10)19-16(21)12-5-4-6-13(17)15(12)18/h4-9H,1-3H3,(H,19,21).
What are the key properties of 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide?
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide has a molecular weight of 351.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 106544263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).