5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide

C23H15N5O4 — CID 17219688

IUPAC5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C23H15N5O4/c29-23(22-13-12-21(32-22)17-8-4-5-9-20(17)28(30)31)24-15-10-11-18-19(14-15)26-27(25-18)16-6-2-1-3-7-16/h1-14H,(H,24,29)
InChIKeyDVHPZKALMQESAP-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.84
Rot. Bonds5

About 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide

5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide (PubChem CID 17219688) has the molecular formula C23H15N5O4 and a molecular weight of 425.40 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
PubChem CID17219688
Molecular FormulaC23H15N5O4
Molecular Weight425.40 g/mol
Exact Mass425.11
IUPAC Name5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C23H15N5O4/c29-23(22-13-12-21(32-22)17-8-4-5-9-20(17)28(30)31)24-15-10-11-18-19(14-15)26-27(25-18)16-6-2-1-3-7-16/h1-14H,(H,24,29)
InChIKeyDVHPZKALMQESAP-UHFFFAOYSA-N
XLogP4.84
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17117332
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-(6-chloro-2-phenylbenzotriazol-5-yl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 17220321
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 23937936
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
ethyl 4-[5-[(2-phenylbenzotriazol-5-yl)carbamoyl]furan-2-yl]benzoate
CID 1491630
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4568237
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17319265
N-(3-chloro-4-morpholin-4-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1244911
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17118246

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide (CID 17219688) is 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The InChIKey is DVHPZKALMQESAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O4/c29-23(22-13-12-21(32-22)17-8-4-5-9-20(17)28(30)31)24-15-10-11-18-19(14-15)26-27(25-18)16-6-2-1-3-7-16/h1-14H,(H,24,29).
What are the key properties of 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 17219688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).