7-chloro-6-nitro-1-benzofuran-4-carboxamide

C9H5ClN2O4 — CID 146315828

IUPAC7-chloro-6-nitro-1-benzofuran-4-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(Cl)c2occc12
InChIInChI=1S/C9H5ClN2O4/c10-7-6(12(14)15)3-5(9(11)13)4-1-2-16-8(4)7/h1-3H,(H2,11,13)
InChIKeyYZZMYNRDGWFMNR-UHFFFAOYSA-N
MW240.60 g/mol
LogP2.09
Rot. Bonds2

About 7-chloro-6-nitro-1-benzofuran-4-carboxamide

7-chloro-6-nitro-1-benzofuran-4-carboxamide (PubChem CID 146315828) has the molecular formula C9H5ClN2O4 and a molecular weight of 240.60 g/mol. Its IUPAC name is 7-chloro-6-nitro-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name7-chloro-6-nitro-1-benzofuran-4-carboxamide
PubChem CID146315828
Molecular FormulaC9H5ClN2O4
Molecular Weight240.60 g/mol
Exact Mass239.99
IUPAC Name7-chloro-6-nitro-1-benzofuran-4-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])c(Cl)c2occc12
InChIInChI=1S/C9H5ClN2O4/c10-7-6(12(14)15)3-5(9(11)13)4-1-2-16-8(4)7/h1-3H,(H2,11,13)
InChIKeyYZZMYNRDGWFMNR-UHFFFAOYSA-N
XLogP2.09
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-nitrobenzamide
CID 69073651
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
2-amino-4,5-dinitrobenzamide
CID 119012907
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
4-chloro-3-hydroxy-5-nitrobenzamide;molecular hydrogen
CID 176693426
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
4-chloro-5-iodo-2-nitrobenzamide
CID 171004894
4-methylsulfonyl-2-nitrobenzamide
CID 66667626
4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
CID 173240333
4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
4-bromo-5-fluoro-7-nitro-1-benzofuran
CID 170560184
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-nitro-1-benzofuran-4-carboxamide?
The IUPAC name of 7-chloro-6-nitro-1-benzofuran-4-carboxamide (CID 146315828) is 7-chloro-6-nitro-1-benzofuran-4-carboxamide.
What is the SMILES notation for 7-chloro-6-nitro-1-benzofuran-4-carboxamide?
The canonical SMILES for 7-chloro-6-nitro-1-benzofuran-4-carboxamide is NC(=O)c1cc([N+](=O)[O-])c(Cl)c2occc12.
What is the InChIKey of 7-chloro-6-nitro-1-benzofuran-4-carboxamide?
The InChIKey is YZZMYNRDGWFMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O4/c10-7-6(12(14)15)3-5(9(11)13)4-1-2-16-8(4)7/h1-3H,(H2,11,13).
What are the key properties of 7-chloro-6-nitro-1-benzofuran-4-carboxamide?
7-chloro-6-nitro-1-benzofuran-4-carboxamide has a molecular weight of 240.60 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-nitro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 146315828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).