N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide

C12H10FN3O3 — CID 18102102

IUPACN-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C12H10FN3O3/c1-15-7-8(16(18)19)6-11(15)12(17)14-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,14,17)
InChIKeyYUYGTCWMHMDFLY-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.32
Rot. Bonds3

About N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide

N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide (PubChem CID 18102102) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide
PubChem CID18102102
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC NameN-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C12H10FN3O3/c1-15-7-8(16(18)19)6-11(15)12(17)14-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,14,17)
InChIKeyYUYGTCWMHMDFLY-UHFFFAOYSA-N
XLogP2.32
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide (CID 18102102) is N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The InChIKey is YUYGTCWMHMDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-15-7-8(16(18)19)6-11(15)12(17)14-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,14,17).
What are the key properties of N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide?
N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide has a molecular weight of 263.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 18102102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).