N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide

C15H10F2N2O3 — CID 874270

IUPACN-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10F2N2O3/c16-11-4-1-10(2-5-11)3-8-15(20)18-12-6-7-13(17)14(9-12)19(21)22/h1-9H,(H,18,20)
InChIKeyRNJPIDSTYNLEBN-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.52
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide

N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 874270) has the molecular formula C15H10F2N2O3 and a molecular weight of 304.25 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID874270
Molecular FormulaC15H10F2N2O3
Molecular Weight304.25 g/mol
Exact Mass304.07
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10F2N2O3/c16-11-4-1-10(2-5-11)3-8-15(20)18-12-6-7-13(17)14(9-12)19(21)22/h1-9H,(H,18,20)
InChIKeyRNJPIDSTYNLEBN-UHFFFAOYSA-N
XLogP3.52
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(E)-3-(4-tert-butylphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 844305
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
N-(3-chloro-4-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327932
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
CID 26696924
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
(E)-N-(4-fluoro-3-nitrophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 9207805
N-(4-fluoro-3-nitrophenyl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55348406
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 874270) is N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is RNJPIDSTYNLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3/c16-11-4-1-10(2-5-11)3-8-15(20)18-12-6-7-13(17)14(9-12)19(21)22/h1-9H,(H,18,20).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide?
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 304.25 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 874270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).