5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide

C15H14BrFN2O2 — CID 61139839

IUPAC5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-5-3-11(18)7-12(14)15(20)19-8-9-6-10(17)2-4-13(9)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyDHGHONAODDOWAD-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.11
Rot. Bonds4

About 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide

5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide (PubChem CID 61139839) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
PubChem CID61139839
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c1-21-14-5-3-11(18)7-12(14)15(20)19-8-9-6-10(17)2-4-13(9)16/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyDHGHONAODDOWAD-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.11
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

N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide (CID 61139839) is 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide?
The InChIKey is DHGHONAODDOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-21-14-5-3-11(18)7-12(14)15(20)19-8-9-6-10(17)2-4-13(9)16/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide?
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 61139839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).