2-amino-3-chloro-6-fluorobenzamide

C7H6ClFN2O — CID 57084585

IUPAC2-amino-3-chloro-6-fluorobenzamide
SMILESNC(=O)c1c(F)ccc(Cl)c1N
InChIInChI=1S/C7H6ClFN2O/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeySZCKWMSLLYTTQJ-UHFFFAOYSA-N
MW188.59 g/mol
LogP1.16
Rot. Bonds1

About 2-amino-3-chloro-6-fluorobenzamide

2-amino-3-chloro-6-fluorobenzamide (PubChem CID 57084585) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is 2-amino-3-chloro-6-fluorobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-6-fluorobenzamide
PubChem CID57084585
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC Name2-amino-3-chloro-6-fluorobenzamide
SMILESNC(=O)c1c(F)ccc(Cl)c1N
InChIInChI=1S/C7H6ClFN2O/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeySZCKWMSLLYTTQJ-UHFFFAOYSA-N
XLogP1.16
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-6-fluorobenzamide?
The IUPAC name of 2-amino-3-chloro-6-fluorobenzamide (CID 57084585) is 2-amino-3-chloro-6-fluorobenzamide.
What is the SMILES notation for 2-amino-3-chloro-6-fluorobenzamide?
The canonical SMILES for 2-amino-3-chloro-6-fluorobenzamide is NC(=O)c1c(F)ccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-6-fluorobenzamide?
The InChIKey is SZCKWMSLLYTTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,10H2,(H2,11,12).
What are the key properties of 2-amino-3-chloro-6-fluorobenzamide?
2-amino-3-chloro-6-fluorobenzamide has a molecular weight of 188.59 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-6-fluorobenzamide is sourced from PubChem (CID 57084585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).