(E)-N,3-bis(4-nitrophenyl)prop-2-enamide

C15H11N3O5 — CID 6147286

IUPAC(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-15(16-12-4-8-14(9-5-12)18(22)23)10-3-11-1-6-13(7-2-11)17(20)21/h1-10H,(H,16,19)/b10-3+
InChIKeyOODJOOOYIXNRHO-XCVCLJGOSA-N
MW313.27 g/mol
LogP3.15
Rot. Bonds5

About (E)-N,3-bis(4-nitrophenyl)prop-2-enamide

(E)-N,3-bis(4-nitrophenyl)prop-2-enamide (PubChem CID 6147286) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is (E)-N,3-bis(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
PubChem CID6147286
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-15(16-12-4-8-14(9-5-12)18(22)23)10-3-11-1-6-13(7-2-11)17(20)21/h1-10H,(H,16,19)/b10-3+
InChIKeyOODJOOOYIXNRHO-XCVCLJGOSA-N
XLogP3.15
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 40584642
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
N,N-dimethyl-3-[4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 46760529

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-bis(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N,3-bis(4-nitrophenyl)prop-2-enamide (CID 6147286) is (E)-N,3-bis(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,3-bis(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N,3-bis(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-N,3-bis(4-nitrophenyl)prop-2-enamide?
The InChIKey is OODJOOOYIXNRHO-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11N3O5/c19-15(16-12-4-8-14(9-5-12)18(22)23)10-3-11-1-6-13(7-2-11)17(20)21/h1-10H,(H,16,19)/b10-3+.
What are the key properties of (E)-N,3-bis(4-nitrophenyl)prop-2-enamide?
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide has a molecular weight of 313.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-bis(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6147286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).