3-amino-5-chloro-1-benzofuran-2-carboxamide

C9H7ClN2O2 — CID 610852

IUPAC3-amino-5-chloro-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1N
InChIInChI=1S/C9H7ClN2O2/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13)
InChIKeyDSULSHPYVGTEJW-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.77
Rot. Bonds1

About 3-amino-5-chloro-1-benzofuran-2-carboxamide

3-amino-5-chloro-1-benzofuran-2-carboxamide (PubChem CID 610852) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 3-amino-5-chloro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-1-benzofuran-2-carboxamide
PubChem CID610852
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name3-amino-5-chloro-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccc(Cl)cc2c1N
InChIInChI=1S/C9H7ClN2O2/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13)
InChIKeyDSULSHPYVGTEJW-UHFFFAOYSA-N
XLogP1.77
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-1-benzofuran-2-carboxamide (CID 610852) is 3-amino-5-chloro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccc(Cl)cc2c1N.
What is the InChIKey of 3-amino-5-chloro-1-benzofuran-2-carboxamide?
The InChIKey is DSULSHPYVGTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-4-1-2-6-5(3-4)7(11)8(14-6)9(12)13/h1-3H,11H2,(H2,12,13).
What are the key properties of 3-amino-5-chloro-1-benzofuran-2-carboxamide?
3-amino-5-chloro-1-benzofuran-2-carboxamide has a molecular weight of 210.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 610852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).