(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide

C16H12F2N2O4 — CID 17395073

IUPAC(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OC(F)F
InChIInChI=1S/C16H12F2N2O4/c17-16(18)24-14-8-4-2-6-12(14)19-15(21)10-9-11-5-1-3-7-13(11)20(22)23/h1-10,16H,(H,19,21)/b10-9+
InChIKeyDCASVUMXUWRQJU-MDZDMXLPSA-N
MW334.28 g/mol
LogP3.85
Rot. Bonds6

About (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 17395073) has the molecular formula C16H12F2N2O4 and a molecular weight of 334.28 g/mol. Its IUPAC name is (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID17395073
Molecular FormulaC16H12F2N2O4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OC(F)F
InChIInChI=1S/C16H12F2N2O4/c17-16(18)24-14-8-4-2-6-12(14)19-15(21)10-9-11-5-1-3-7-13(11)20(22)23/h1-10,16H,(H,19,21)/b10-9+
InChIKeyDCASVUMXUWRQJU-MDZDMXLPSA-N
XLogP3.85
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
N-[2-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 953075
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884
3-(3-methoxy-2-propan-2-yloxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 67441963
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 51158962
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 47789771
(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
CID 166201662
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide (CID 17395073) is (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OC(F)F.
What is the InChIKey of (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is DCASVUMXUWRQJU-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12F2N2O4/c17-16(18)24-14-8-4-2-6-12(14)19-15(21)10-9-11-5-1-3-7-13(11)20(22)23/h1-10,16H,(H,19,21)/b10-9+.
What are the key properties of (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 334.28 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17395073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).