N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide

C20H16BrFN2O — CID 155167235

IUPACN'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide
SMILESN/C(=N\c1ccc(F)c(Br)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H16BrFN2O/c21-17-12-15(10-11-18(17)22)24-20(23)16-8-4-5-9-19(16)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24)
InChIKeyRRSCPEZJFLWQOA-UHFFFAOYSA-N
MW399.26 g/mol
LogP5.20
Rot. Bonds5

About N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide

N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide (PubChem CID 155167235) has the molecular formula C20H16BrFN2O and a molecular weight of 399.26 g/mol. Its IUPAC name is N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide
PubChem CID155167235
Molecular FormulaC20H16BrFN2O
Molecular Weight399.26 g/mol
Exact Mass398.04
IUPAC NameN'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide
SMILESN/C(=N\c1ccc(F)c(Br)c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H16BrFN2O/c21-17-12-15(10-11-18(17)22)24-20(23)16-8-4-5-9-19(16)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24)
InChIKeyRRSCPEZJFLWQOA-UHFFFAOYSA-N
XLogP5.20
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.26
LogP ≤ 55.20
H-Bond Donors ≤ 51
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

N'-amino-2-phenylmethoxybenzenecarboximidamide
CID 54032335
methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
CID 155167097
2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
benzyl 4-bromo-5-fluoro-2-phenylmethoxybenzoate
CID 122458122
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
CID 155588527
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961
2-bromo-4-nitroso-1-phenylmethoxybenzene
CID 130451234
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 104797666
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide?
The IUPAC name of N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide (CID 155167235) is N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide is N/C(=N\c1ccc(F)c(Br)c1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide?
The InChIKey is RRSCPEZJFLWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O/c21-17-12-15(10-11-18(17)22)24-20(23)16-8-4-5-9-19(16)25-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,23,24).
What are the key properties of N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide?
N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide has a molecular weight of 399.26 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-fluorophenyl)-2-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 155167235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).