2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide

C15H14BrFN2O — CID 82823576

IUPAC2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCc1ccccc1Br
InChIInChI=1S/C15H14BrFN2O/c16-14-4-2-1-3-11(14)9-20-8-10-5-6-12(17)7-13(10)15(18)19/h1-7H,8-9H2,(H3,18,19)
InChIKeyMLXNDMLAEPRYCE-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.59
Rot. Bonds5

About 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide

2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide (PubChem CID 82823576) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
PubChem CID82823576
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COCc1ccccc1Br
InChIInChI=1S/C15H14BrFN2O/c16-14-4-2-1-3-11(14)9-20-8-10-5-6-12(17)7-13(10)15(18)19/h1-7H,8-9H2,(H3,18,19)
InChIKeyMLXNDMLAEPRYCE-UHFFFAOYSA-N
XLogP3.59
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 80502922
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarbothioamide
CID 82826599
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240740
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide (CID 82823576) is 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
The InChIKey is MLXNDMLAEPRYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-14-4-2-1-3-11(14)9-20-8-10-5-6-12(17)7-13(10)15(18)19/h1-7H,8-9H2,(H3,18,19).
What are the key properties of 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide?
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide has a molecular weight of 337.19 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 82823576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).