N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide

C16H15FN2O4 — CID 9210501

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c1-23-15-7-6-13(19(21)22)10-14(15)16(20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyGYAVBXWDBAISBN-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.71
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide

N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide (PubChem CID 9210501) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
PubChem CID9210501
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O4/c1-23-15-7-6-13(19(21)22)10-14(15)16(20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyGYAVBXWDBAISBN-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108531966
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-5-nitrobenzamide
CID 104857202
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide (CID 9210501) is N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
The InChIKey is GYAVBXWDBAISBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-23-15-7-6-13(19(21)22)10-14(15)16(20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide?
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide has a molecular weight of 318.30 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9210501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).