2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide

C15H14ClFN2O — CID 102724621

IUPAC2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C15H14ClFN2O/c1-9-6-11(17)3-2-10(9)8-20-12-4-5-13(15(18)19)14(16)7-12/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyUSVMIEHZDBVKMC-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.65
Rot. Bonds4

About 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide

2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide (PubChem CID 102724621) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
PubChem CID102724621
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C15H14ClFN2O/c1-9-6-11(17)3-2-10(9)8-20-12-4-5-13(15(18)19)14(16)7-12/h2-7H,8H2,1H3,(H3,18,19)
InChIKeyUSVMIEHZDBVKMC-UHFFFAOYSA-N
XLogP3.65
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.65
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

2-[(3,4-dimethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290640
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 114346108
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 102724554
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
2-[(4-bromophenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63290597
5-fluoro-2-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 63291162
2-chloro-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 102724521
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
4-[(3,4-dichlorophenoxy)methyl]-3-fluorobenzenecarboximidamide
CID 61000059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide (CID 102724621) is 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccc(F)cc2C)cc1Cl.
What is the InChIKey of 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide?
The InChIKey is USVMIEHZDBVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-6-11(17)3-2-10(9)8-20-12-4-5-13(15(18)19)14(16)7-12/h2-7H,8H2,1H3,(H3,18,19).
What are the key properties of 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide?
2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide has a molecular weight of 292.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 102724621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).