(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide

C15H13N3O4 — CID 84552120

IUPAC(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C15H13N3O4/c16-11-4-1-10(2-5-11)3-8-15(20)17-13-9-12(18(21)22)6-7-14(13)19/h1-9,19H,16H2,(H,17,20)/b8-3+
InChIKeyJOTLHMTYGKAFBD-FPYGCLRLSA-N
MW299.29 g/mol
LogP2.53
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide (PubChem CID 84552120) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
PubChem CID84552120
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C15H13N3O4/c16-11-4-1-10(2-5-11)3-8-15(20)17-13-9-12(18(21)22)6-7-14(13)19/h1-9,19H,16H2,(H,17,20)/b8-3+
InChIKeyJOTLHMTYGKAFBD-FPYGCLRLSA-N
XLogP2.53
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-(4-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 17342492
(E)-3-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 84553779
4-hydroxy-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 108730194
(E)-3-(3-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide
CID 84554354
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(E)-3-(4-aminophenyl)-N-(5-ethyl-2-hydroxyphenyl)prop-2-enamide
CID 115344623
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
3-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 805453
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
N-(2-hydroxy-4,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3713167

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide (CID 84552120) is (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
The InChIKey is JOTLHMTYGKAFBD-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H13N3O4/c16-11-4-1-10(2-5-11)3-8-15(20)17-13-9-12(18(21)22)6-7-14(13)19/h1-9,19H,16H2,(H,17,20)/b8-3+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide has a molecular weight of 299.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2-hydroxy-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 84552120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).