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

C15H10ClFN2O3 — CID 896227

IUPAC3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClFN2O3/c16-11-3-1-2-10(8-11)4-7-15(20)18-12-5-6-13(17)14(9-12)19(21)22/h1-9H,(H,18,20)
InChIKeyZBRXTZOCAOLDAE-UHFFFAOYSA-N
MW320.71 g/mol
LogP4.04
Rot. Bonds4

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

3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide (PubChem CID 896227) has the molecular formula C15H10ClFN2O3 and a molecular weight of 320.71 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
PubChem CID896227
Molecular FormulaC15H10ClFN2O3
Molecular Weight320.71 g/mol
Exact Mass320.04
IUPAC Name3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClFN2O3/c16-11-3-1-2-10(8-11)4-7-15(20)18-12-5-6-13(17)14(9-12)19(21)22/h1-9H,(H,18,20)
InChIKeyZBRXTZOCAOLDAE-UHFFFAOYSA-N
XLogP4.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 54.04
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

N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
N-(3-chloro-4-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327932
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
(E)-3-(4-tert-butylphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 844305
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(2E,4E)-N-(4-fluoro-3-nitrophenyl)hexa-2,4-dienamide
CID 26696924
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide (CID 896227) is 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
The InChIKey is ZBRXTZOCAOLDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3/c16-11-3-1-2-10(8-11)4-7-15(20)18-12-5-6-13(17)14(9-12)19(21)22/h1-9H,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide?
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide has a molecular weight of 320.71 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 896227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).