2-chloro-4-fluorobenzenecarboximidamide

C7H6ClFN2 — CID 3626359

IUPAC2-chloro-4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1Cl
InChIInChI=1S/C7H6ClFN2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H3,10,11)
InChIKeyKESVNOXPDZLHGZ-UHFFFAOYSA-N
MW172.59 g/mol
LogP1.76
Rot. Bonds1

About 2-chloro-4-fluorobenzenecarboximidamide

2-chloro-4-fluorobenzenecarboximidamide (PubChem CID 3626359) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is 2-chloro-4-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-fluorobenzenecarboximidamide
PubChem CID3626359
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name2-chloro-4-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(F)cc1Cl
InChIInChI=1S/C7H6ClFN2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H3,10,11)
InChIKeyKESVNOXPDZLHGZ-UHFFFAOYSA-N
XLogP1.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-amino-4-fluorobenzenecarboximidamide
CID 140514748
4-chloro-2,3-difluorobenzenecarboximidamide
CID 174975357
2-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]benzenecarboximidamide
CID 102724621
2-chloro-4-fluorobenzenecarbothioamide
CID 46779076
2-chloro-4,5-difluorobenzenecarboximidamide;ethane
CID 145225974
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
4-fluoro-2-nitrobenzenecarboximidamide
CID 53404311
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
CID 62946876
7-fluoroquinoline-4-carboximidamide
CID 83677826
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluorobenzenecarboximidamide?
The IUPAC name of 2-chloro-4-fluorobenzenecarboximidamide (CID 3626359) is 2-chloro-4-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-fluorobenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluorobenzenecarboximidamide?
The InChIKey is KESVNOXPDZLHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H3,10,11).
What are the key properties of 2-chloro-4-fluorobenzenecarboximidamide?
2-chloro-4-fluorobenzenecarboximidamide has a molecular weight of 172.59 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluorobenzenecarboximidamide is sourced from PubChem (CID 3626359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).