2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide

C14H12BrFN2O — CID 63290597

IUPAC2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COc1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O/c15-10-2-5-12(6-3-10)19-8-9-1-4-11(16)7-13(9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyCUPZJLPBSVOBBE-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.45
Rot. Bonds4

About 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide

2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide (PubChem CID 63290597) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
PubChem CID63290597
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COc1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O/c15-10-2-5-12(6-3-10)19-8-9-1-4-11(16)7-13(9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyCUPZJLPBSVOBBE-UHFFFAOYSA-N
XLogP3.45
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.45
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'}

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Related Compounds

5-fluoro-2-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 63291162
2-[(3,4-dimethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290640
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-fluorobenzenecarboximidamide
CID 63290672
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
CID 63289311
2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
CID 102724621

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide (CID 63290597) is 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide?
The InChIKey is CUPZJLPBSVOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-10-2-5-12(6-3-10)19-8-9-1-4-11(16)7-13(9)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide?
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide has a molecular weight of 323.17 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 63290597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).