(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide

C15H13N3O3 — CID 115342730

IUPAC(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13N3O3/c16-12-3-1-2-11(10-12)4-9-15(19)17-13-5-7-14(8-6-13)18(20)21/h1-10H,16H2,(H,17,19)/b9-4+
InChIKeyIPUGNRAIBRTODH-RUDMXATFSA-N
MW283.29 g/mol
LogP2.83
Rot. Bonds4

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

(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide (PubChem CID 115342730) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
PubChem CID115342730
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
SMILESNc1cccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13N3O3/c16-12-3-1-2-11(10-12)4-9-15(19)17-13-5-7-14(8-6-13)18(20)21/h1-10H,16H2,(H,17,19)/b9-4+
InChIKeyIPUGNRAIBRTODH-RUDMXATFSA-N
XLogP2.83
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
N-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2887493
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(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
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide (CID 115342730) is (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide is Nc1cccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide?
The InChIKey is IPUGNRAIBRTODH-RUDMXATFSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-12-3-1-2-11(10-12)4-9-15(19)17-13-5-7-14(8-6-13)18(20)21/h1-10H,16H2,(H,17,19)/b9-4+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide has a molecular weight of 283.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 115342730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).