(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide

C15H12N2O3 — CID 92909984

IUPAC(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O3/c18-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(10-8-13)17(19)20/h1-11H,(H,16,18)/b11-6-
InChIKeyAYXKBTUZYMUPEC-WDZFZDKYSA-N
MW268.27 g/mol
LogP3.25
Rot. Bonds4

About (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide

(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide (PubChem CID 92909984) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
PubChem CID92909984
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C\c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N2O3/c18-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(10-8-13)17(19)20/h1-11H,(H,16,18)/b11-6-
InChIKeyAYXKBTUZYMUPEC-WDZFZDKYSA-N
XLogP3.25
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.25
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)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-N-[(4-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 5348629
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
N-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2887493
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(4-nitrophenyl)-4-phenylbut-3-enamide
CID 62706949

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide (CID 92909984) is (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide is O=C(/C=C\c1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide?
The InChIKey is AYXKBTUZYMUPEC-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(10-8-13)17(19)20/h1-11H,(H,16,18)/b11-6-.
What are the key properties of (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide?
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide has a molecular weight of 268.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 92909984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).