N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide

C19H19FN2O4 — CID 103599139

IUPACN-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide
SMILESCCOc1ccccc1CN(C)C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN2O4/c1-3-26-18-7-5-4-6-15(18)13-21(2)19(23)11-9-14-8-10-16(20)12-17(14)22(24)25/h4-12H,3,13H2,1-2H3
InChIKeyFEXFSWOCRPRQBA-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.80
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide

N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide (PubChem CID 103599139) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide
PubChem CID103599139
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide
SMILESCCOc1ccccc1CN(C)C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN2O4/c1-3-26-18-7-5-4-6-15(18)13-21(2)19(23)11-9-14-8-10-16(20)12-17(14)22(24)25/h4-12H,3,13H2,1-2H3
InChIKeyFEXFSWOCRPRQBA-UHFFFAOYSA-N
XLogP3.80
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 76856856
(2-ethoxyphenyl)methyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 8605194
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 9417737
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 71882748
(E)-3-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268812
(E)-N-[(4-methoxyphenyl)methyl]-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 39972247
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55861020
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 77013487

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide (CID 103599139) is N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide is CCOc1ccccc1CN(C)C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide?
The InChIKey is FEXFSWOCRPRQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-3-26-18-7-5-4-6-15(18)13-21(2)19(23)11-9-14-8-10-16(20)12-17(14)22(24)25/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide?
N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide has a molecular weight of 358.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 103599139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).