(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide

C21H16N2O4 — CID 26881562

IUPAC(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16N2O4/c24-21(15-14-16-8-4-6-12-19(16)23(25)26)22-18-11-5-7-13-20(18)27-17-9-2-1-3-10-17/h1-15H,(H,22,24)/b15-14+
InChIKeyBIEVSTLUAZDYII-CCEZHUSRSA-N
MW360.37 g/mol
LogP5.04
Rot. Bonds6

About (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide

(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide (PubChem CID 26881562) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
PubChem CID26881562
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H16N2O4/c24-21(15-14-16-8-4-6-12-19(16)23(25)26)22-18-11-5-7-13-20(18)27-17-9-2-1-3-10-17/h1-15H,(H,22,24)/b15-14+
InChIKeyBIEVSTLUAZDYII-CCEZHUSRSA-N
XLogP5.04
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 55.04
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)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
(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
(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 56826558
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide (CID 26881562) is (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1.
What is the InChIKey of (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
The InChIKey is BIEVSTLUAZDYII-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-21(15-14-16-8-4-6-12-19(16)23(25)26)22-18-11-5-7-13-20(18)27-17-9-2-1-3-10-17/h1-15H,(H,22,24)/b15-14+.
What are the key properties of (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide?
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide has a molecular weight of 360.37 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26881562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).