4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide

C21H17FN2O4 — CID 22093469

IUPAC4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide
SMILESCOc1cc(F)c(-c2ccccc2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17FN2O4/c1-28-20-12-19(22)17(15-7-3-2-4-8-15)11-18(20)21(25)23-13-14-6-5-9-16(10-14)24(26)27/h2-12H,13H2,1H3,(H,23,25)
InChIKeyUKOPBOUVEJMKNZ-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.34
Rot. Bonds6

About 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide

4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide (PubChem CID 22093469) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide
PubChem CID22093469
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide
SMILESCOc1cc(F)c(-c2ccccc2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H17FN2O4/c1-28-20-12-19(22)17(15-7-3-2-4-8-15)11-18(20)21(25)23-13-14-6-5-9-16(10-14)24(26)27/h2-12H,13H2,1H3,(H,23,25)
InChIKeyUKOPBOUVEJMKNZ-UHFFFAOYSA-N
XLogP4.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.34
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 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide?
The IUPAC name of 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide (CID 22093469) is 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide?
The canonical SMILES for 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide is COc1cc(F)c(-c2ccccc2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide?
The InChIKey is UKOPBOUVEJMKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c1-28-20-12-19(22)17(15-7-3-2-4-8-15)11-18(20)21(25)23-13-14-6-5-9-16(10-14)24(26)27/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide?
4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide has a molecular weight of 380.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide is sourced from PubChem (CID 22093469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).