3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide

C17H17FN2O5 — CID 9076945

IUPAC3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1
InChIInChI=1S/C17H17FN2O5/c1-24-13-7-11(8-14(10-13)25-2)3-6-17(21)19-12-4-5-15(18)16(9-12)20(22)23/h4-5,7-10H,3,6H2,1-2H3,(H,19,21)
InChIKeyJCITYLMOJSHRQE-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.32
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide

3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 9076945) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID9076945
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1
InChIInChI=1S/C17H17FN2O5/c1-24-13-7-11(8-14(10-13)25-2)3-6-17(21)19-12-4-5-15(18)16(9-12)20(22)23/h4-5,7-10H,3,6H2,1-2H3,(H,19,21)
InChIKeyJCITYLMOJSHRQE-UHFFFAOYSA-N
XLogP3.32
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-fluoro-3-nitrophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 49097914
3-(3,5-dimethoxyphenyl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 134044495
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
CID 9207905
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-(4-fluoro-3-nitrophenyl)-3-(4-nitrophenoxy)propanamide
CID 38701334
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3377488
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776180
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide (CID 9076945) is 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is JCITYLMOJSHRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-24-13-7-11(8-14(10-13)25-2)3-6-17(21)19-12-4-5-15(18)16(9-12)20(22)23/h4-5,7-10H,3,6H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 348.33 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 9076945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).