5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

C15H13BrFNO2 — CID 47268472

IUPAC5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c1-18(9-10-4-2-3-5-14(10)19)15(20)12-8-11(16)6-7-13(12)17/h2-8,19H,9H2,1H3
InChIKeyLISRVYOPJCGCII-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.57
Rot. Bonds3

About 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide

5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 47268472) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID47268472
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1O)C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c1-18(9-10-4-2-3-5-14(10)19)15(20)12-8-11(16)6-7-13(12)17/h2-8,19H,9H2,1H3
InChIKeyLISRVYOPJCGCII-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 2546525
5-bromo-N-(2-chloroethyl)-2-fluoro-N-methylbenzamide
CID 63391568
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
5-bromo-N-[(2,3-dichlorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 35977920
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
5-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61077053
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103893263

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide (CID 47268472) is 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1ccccc1O)C(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is LISRVYOPJCGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-18(9-10-4-2-3-5-14(10)19)15(20)12-8-11(16)6-7-13(12)17/h2-8,19H,9H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide?
5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 47268472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).