2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H11BrClFN2O2 — CID 76994227

IUPAC2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClFN2O2/c15-12-5-9(16)2-4-13(12)21-7-8-1-3-10(17)6-11(8)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyXIUOJWQWIKUXDL-UHFFFAOYSA-N
MW373.61 g/mol
LogP3.92
Rot. Bonds4

About 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 76994227) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID76994227
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Name2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(F)ccc1COc1ccc(Cl)cc1Br
InChIInChI=1S/C14H11BrClFN2O2/c15-12-5-9(16)2-4-13(12)21-7-8-1-3-10(17)6-11(8)14(18)19-20/h1-6,20H,7H2,(H2,18,19)
InChIKeyXIUOJWQWIKUXDL-UHFFFAOYSA-N
XLogP3.92
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide 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-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062
5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 83136108
2-[(2-chloro-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 43185462
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 114849679
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609277
2-[(2-chloro-4-fluorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 63292648

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 76994227) is 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(F)ccc1COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XIUOJWQWIKUXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c15-12-5-9(16)2-4-13(12)21-7-8-1-3-10(17)6-11(8)14(18)19-20/h1-6,20H,7H2,(H2,18,19).
What are the key properties of 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 373.61 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76994227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).