N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide

C21H17FN2O4 — CID 52702165

IUPACN-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C21H17FN2O4/c22-17-7-3-5-15(11-17)14-28-19-9-4-8-18(13-19)23-21(25)12-16-6-1-2-10-20(16)24(26)27/h1-11,13H,12,14H2,(H,23,25)
InChIKeyAIQNYWTYIBHIHD-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.49
Rot. Bonds7

About N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide

N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide (PubChem CID 52702165) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
PubChem CID52702165
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC NameN-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C21H17FN2O4/c22-17-7-3-5-15(11-17)14-28-19-9-4-8-18(13-19)23-21(25)12-16-6-1-2-10-20(16)24(26)27/h1-11,13H,12,14H2,(H,23,25)
InChIKeyAIQNYWTYIBHIHD-UHFFFAOYSA-N
XLogP4.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.49
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

2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 9439693
N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 51119178
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
N-methyl-3-[[2-(2-nitrophenyl)acetyl]amino]benzamide
CID 18144354
2-(3-fluorophenyl)-N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 175599495
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide (CID 52702165) is N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is AIQNYWTYIBHIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-17-7-3-5-15(11-17)14-28-19-9-4-8-18(13-19)23-21(25)12-16-6-1-2-10-20(16)24(26)27/h1-11,13H,12,14H2,(H,23,25).
What are the key properties of N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide?
N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 380.38 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 52702165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).