N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide

C15H13FN2O4 — CID 602153

IUPACN-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O4/c1-22-14-7-6-10(8-13(14)18(20)21)15(19)17-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyRTFVYVCJIACSRN-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.67
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide

N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide (PubChem CID 602153) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide
PubChem CID602153
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O4/c1-22-14-7-6-10(8-13(14)18(20)21)15(19)17-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,17,19)
InChIKeyRTFVYVCJIACSRN-UHFFFAOYSA-N
XLogP2.67
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.67
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

4-methoxy-3-nitro-N-phenylbenzamide
CID 7331
3-Amino-4-methoxybenzanilide
CID 8426
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
Benzamide, 4-methoxy-3-nitro-
CID 82603
N-[4-(benzyloxy)phenyl]-3-nitro-4-methoxybenzamide
CID 1219371
N-[4-(aminocarbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 874576
4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
CID 127047413
3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
CID 127047651
N-[2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 726887
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-3-nitrobenzamide
CID 2938629
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide (CID 602153) is N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)NCc2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is RTFVYVCJIACSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-22-14-7-6-10(8-13(14)18(20)21)15(19)17-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide?
N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 304.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 602153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).