N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide

C20H16FN3O5 — CID 9440883

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C20H16FN3O5/c1-23(12-19(25)22-15-6-4-14(21)5-7-15)20(26)18-11-10-17(29-18)13-2-8-16(9-3-13)24(27)28/h2-11H,12H2,1H3,(H,22,25)
InChIKeySGATXLNPITVBSE-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 9440883) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID9440883
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C20H16FN3O5/c1-23(12-19(25)22-15-6-4-14(21)5-7-15)20(26)18-11-10-17(29-18)13-2-8-16(9-3-13)24(27)28/h2-11H,12H2,1H3,(H,22,25)
InChIKeySGATXLNPITVBSE-UHFFFAOYSA-N
XLogP3.70
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9440821
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-nitrobenzamide
CID 18112696
[2-(4-methoxyanilino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691610
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-yl-5-nitrobenzamide
CID 24686723
5-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 18119275
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 22830997
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 10982042
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24982786

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide (CID 9440883) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is SGATXLNPITVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5/c1-23(12-19(25)22-15-6-4-14(21)5-7-15)20(26)18-11-10-17(29-18)13-2-8-16(9-3-13)24(27)28/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 9440883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).