N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide

C14H12FN3O3 — CID 9207905

IUPACN-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O3/c15-12-5-4-11(8-13(12)18(20)21)17-14(19)6-3-10-2-1-7-16-9-10/h1-2,4-5,7-9H,3,6H2,(H,17,19)
InChIKeyMYRPOLZAEFJABZ-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.70
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide

N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide (PubChem CID 9207905) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
PubChem CID9207905
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12FN3O3/c15-12-5-4-11(8-13(12)18(20)21)17-14(19)6-3-10-2-1-7-16-9-10/h1-2,4-5,7-9H,3,6H2,(H,17,19)
InChIKeyMYRPOLZAEFJABZ-UHFFFAOYSA-N
XLogP2.70
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.70
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

N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(4-fluoro-3-nitrophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7907261
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715186
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide (CID 9207905) is N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is MYRPOLZAEFJABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-12-5-4-11(8-13(12)18(20)21)17-14(19)6-3-10-2-1-7-16-9-10/h1-2,4-5,7-9H,3,6H2,(H,17,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide?
N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 289.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 9207905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).