(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide

C17H14F2N2O5 — CID 2323635

IUPAC(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O5/c1-25-15-5-3-2-4-13(15)20-16(22)9-6-11-10-12(21(23)24)7-8-14(11)26-17(18)19/h2-10,17H,1H3,(H,20,22)/b9-6+
InChIKeyPZTJAKRVBIGUNF-RMKNXTFCSA-N
MW364.30 g/mol
LogP3.86
Rot. Bonds7

About (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide

(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 2323635) has the molecular formula C17H14F2N2O5 and a molecular weight of 364.30 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID2323635
Molecular FormulaC17H14F2N2O5
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F
InChIInChI=1S/C17H14F2N2O5/c1-25-15-5-3-2-4-13(15)20-16(22)9-6-11-10-12(21(23)24)7-8-14(11)26-17(18)19/h2-10,17H,1H3,(H,20,22)/b9-6+
InChIKeyPZTJAKRVBIGUNF-RMKNXTFCSA-N
XLogP3.86
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.86
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'}

Analyze (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4'-Methoxy-3-nitrobenzanilide
CID 306529
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
N-(2-Methoxyphenyl)Cinnamamide
CID 732134
N-(5-nitro-2-phenylmethoxyphenyl)acetamide
CID 264613
(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 889985
(E)-3-(3-nitrophenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
CID 953739
N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
CID 2291786
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 2323673
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2342858
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2386238
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
CID 6151899

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide (CID 2323635) is (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is PZTJAKRVBIGUNF-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14F2N2O5/c1-25-15-5-3-2-4-13(15)20-16(22)9-6-11-10-12(21(23)24)7-8-14(11)26-17(18)19/h2-10,17H,1H3,(H,20,22)/b9-6+.
What are the key properties of (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 364.30 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2323635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).