3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide

C16H16FN3O4 — CID 110499941

IUPAC3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cc1N
InChIInChI=1S/C16H16FN3O4/c1-2-7-24-15-6-3-10(8-13(15)18)16(21)19-11-4-5-14(20(22)23)12(17)9-11/h3-6,8-9H,2,7,18H2,1H3,(H,19,21)
InChIKeyUOSDIVBONAKYCO-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.36
Rot. Bonds6

About 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide

3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide (PubChem CID 110499941) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide
PubChem CID110499941
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cc1N
InChIInChI=1S/C16H16FN3O4/c1-2-7-24-15-6-3-10(8-13(15)18)16(21)19-11-4-5-14(20(22)23)12(17)9-11/h3-6,8-9H,2,7,18H2,1H3,(H,19,21)
InChIKeyUOSDIVBONAKYCO-UHFFFAOYSA-N
XLogP3.36
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3-amino-N-(2-methyl-5-nitrophenyl)-4-propoxybenzamide
CID 110499809
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
N-(3,4-dimethylphenyl)-3-fluoro-4-nitrobenzamide
CID 62682340
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
4-butoxy-N-(3,4-dichlorophenyl)-3-nitrobenzamide
CID 118878011
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide (CID 110499941) is 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(F)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide?
The InChIKey is UOSDIVBONAKYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-2-7-24-15-6-3-10(8-13(15)18)16(21)19-11-4-5-14(20(22)23)12(17)9-11/h3-6,8-9H,2,7,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide?
3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide has a molecular weight of 333.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide is sourced from PubChem (CID 110499941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).