N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

C12H10N2O5 — CID 91678218

IUPACN-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NO)o1
InChIInChI=1S/C12H10N2O5/c1-7-6-8(14(17)18)2-3-9(7)10-4-5-11(19-10)12(15)13-16/h2-6,16H,1H3,(H,13,15)
InChIKeySNWSMRGOGYLQPK-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.28
Rot. Bonds3

About N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide

N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide (PubChem CID 91678218) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
PubChem CID91678218
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC NameN-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NO)o1
InChIInChI=1S/C12H10N2O5/c1-7-6-8(14(17)18)2-3-9(7)10-4-5-11(19-10)12(15)13-16/h2-6,16H,1H3,(H,13,15)
InChIKeySNWSMRGOGYLQPK-UHFFFAOYSA-N
XLogP2.28
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
CID 2268422
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 21214593
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 23849697
5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
CID 23009302
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
5-(2-methoxy-4-nitrophenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 2273249
5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075068
5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
CID 9088085
(E)-N-carbamothioyl-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 132591132

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide (CID 91678218) is N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NO)o1.
What is the InChIKey of N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is SNWSMRGOGYLQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-7-6-8(14(17)18)2-3-9(7)10-4-5-11(19-10)12(15)13-16/h2-6,16H,1H3,(H,13,15).
What are the key properties of N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide?
N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 91678218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).