2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide

C14H11Cl2FN2O — CID 114849646

IUPAC2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H11Cl2FN2O/c15-9-5-4-8(11(17)6-9)7-20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,7H2,(H3,18,19)
InChIKeyKYEIQKJSVKTTDZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.00
Rot. Bonds4

About 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide

2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 114849646) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
PubChem CID114849646
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C14H11Cl2FN2O/c15-9-5-4-8(11(17)6-9)7-20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,7H2,(H3,18,19)
InChIKeyKYEIQKJSVKTTDZ-UHFFFAOYSA-N
XLogP4.00
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.00
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

3-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849637
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
CID 113277395
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide (CID 114849646) is 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is KYEIQKJSVKTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-9-5-4-8(11(17)6-9)7-20-12-3-1-2-10(16)13(12)14(18)19/h1-6H,7H2,(H3,18,19).
What are the key properties of 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide?
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 313.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 114849646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).