N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide

C21H17FN2O5 — CID 4952710

IUPACN-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O5/c22-19-11-8-16(24(26)27)14-20(19)23-21(25)15-6-9-18(10-7-15)29-13-12-28-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,23,25)
InChIKeyRGYZMQYBZJMIRK-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.44
Rot. Bonds8

About N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide

N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide (PubChem CID 4952710) has the molecular formula C21H17FN2O5 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
PubChem CID4952710
Molecular FormulaC21H17FN2O5
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC NameN-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O5/c22-19-11-8-16(24(26)27)14-20(19)23-21(25)15-6-9-18(10-7-15)29-13-12-28-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,23,25)
InChIKeyRGYZMQYBZJMIRK-UHFFFAOYSA-N
XLogP4.44
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952704
3-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
CID 78788740
3-bromo-N-(2-fluoro-5-nitrophenyl)-4-(2-phenylethoxy)benzamide
CID 17072686
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
3-bromo-4-butoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 4955751
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 23877677
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide (CID 4952710) is N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
The InChIKey is RGYZMQYBZJMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5/c22-19-11-8-16(24(26)27)14-20(19)23-21(25)15-6-9-18(10-7-15)29-13-12-28-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,23,25).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide?
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide has a molecular weight of 396.37 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4952710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).