N-(3-azido-2-methylphenyl)furan-2-carboxamide

C12H10N4O2 — CID 169324992

IUPACN-(3-azido-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(N=[N+]=[N-])cccc1NC(=O)c1ccco1
InChIInChI=1S/C12H10N4O2/c1-8-9(4-2-5-10(8)15-16-13)14-12(17)11-6-3-7-18-11/h2-7H,1H3,(H,14,17)
InChIKeyOCUNFSVAMGUDID-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.78
Rot. Bonds3

About N-(3-azido-2-methylphenyl)furan-2-carboxamide

N-(3-azido-2-methylphenyl)furan-2-carboxamide (PubChem CID 169324992) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(3-azido-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-azido-2-methylphenyl)furan-2-carboxamide
PubChem CID169324992
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC NameN-(3-azido-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(N=[N+]=[N-])cccc1NC(=O)c1ccco1
InChIInChI=1S/C12H10N4O2/c1-8-9(4-2-5-10(8)15-16-13)14-12(17)11-6-3-7-18-11/h2-7H,1H3,(H,14,17)
InChIKeyOCUNFSVAMGUDID-UHFFFAOYSA-N
XLogP3.78
TPSA91.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 169332635
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 4275844

Frequently Asked Questions

What is the IUPAC name of N-(3-azido-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-azido-2-methylphenyl)furan-2-carboxamide (CID 169324992) is N-(3-azido-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-azido-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-azido-2-methylphenyl)furan-2-carboxamide is Cc1c(N=[N+]=[N-])cccc1NC(=O)c1ccco1.
What is the InChIKey of N-(3-azido-2-methylphenyl)furan-2-carboxamide?
The InChIKey is OCUNFSVAMGUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-8-9(4-2-5-10(8)15-16-13)14-12(17)11-6-3-7-18-11/h2-7H,1H3,(H,14,17).
What are the key properties of N-(3-azido-2-methylphenyl)furan-2-carboxamide?
N-(3-azido-2-methylphenyl)furan-2-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azido-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 169324992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).