N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide

C21H14N2O4 — CID 55900128

IUPACN-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H14N2O4/c24-20-18-4-2-1-3-16(18)17-10-7-14(11-19(17)20)21(25)22-12-13-5-8-15(9-6-13)23(26)27/h1-11H,12H2,(H,22,25)
InChIKeyMYPGVDXOQARRSV-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide

N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide (PubChem CID 55900128) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
PubChem CID55900128
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC NameN-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H14N2O4/c24-20-18-4-2-1-3-16(18)17-10-7-14(11-19(17)20)21(25)22-12-13-5-8-15(9-6-13)23(26)27/h1-11H,12H2,(H,22,25)
InChIKeyMYPGVDXOQARRSV-UHFFFAOYSA-N
XLogP3.74
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.74
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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Related Compounds

N-(9,10-dioxoanthracen-2-yl)-4-nitrobenzamide
CID 3422751
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 32637447
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
N-benzyl-3-nitro(11C)benzamide
CID 71606846
3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
CID 107980090
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide (CID 55900128) is N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide?
The InChIKey is MYPGVDXOQARRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-20-18-4-2-1-3-16(18)17-10-7-14(11-19(17)20)21(25)22-12-13-5-8-15(9-6-13)23(26)27/h1-11H,12H2,(H,22,25).
What are the key properties of N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide?
N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 55900128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).