N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide

C16H15FN2O4 — CID 18113554

IUPACN-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NCCOc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O4/c1-11-5-4-6-12(15(11)19(21)22)16(20)18-9-10-23-14-8-3-2-7-13(14)17/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyAXOKMUKABKEMRR-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide

N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide (PubChem CID 18113554) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide
PubChem CID18113554
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NCCOc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C16H15FN2O4/c1-11-5-4-6-12(15(11)19(21)22)16(20)18-9-10-23-14-8-3-2-7-13(14)17/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyAXOKMUKABKEMRR-UHFFFAOYSA-N
XLogP2.85
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
N-[2-(2-bromoethoxy)ethyl]-3-methyl-2-nitrobenzamide
CID 114309493
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
N-(5-iodopentyl)-3-methyl-2-nitrobenzamide
CID 107322295
N-(6-bromohexyl)-3-methyl-2-nitrobenzamide
CID 107847503
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methyl-2-nitrobenzamide
CID 78866877
N-[2-(2-fluorophenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 18113604
methyl 6-[(3-methyl-2-nitrobenzoyl)amino]hexanoate
CID 31097835
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-2-nitrobenzamide
CID 55369445

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide (CID 18113554) is N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)NCCOc2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide?
The InChIKey is AXOKMUKABKEMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-11-5-4-6-12(15(11)19(21)22)16(20)18-9-10-23-14-8-3-2-7-13(14)17/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide?
N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide has a molecular weight of 318.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 18113554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).