3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide

C17H14F2N2O4 — CID 103598747

IUPAC3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1OC(F)F)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14F2N2O4/c18-17(19)25-15-7-2-1-5-13(15)8-9-16(22)20-11-12-4-3-6-14(10-12)21(23)24/h1-10,17H,11H2,(H,20,22)
InChIKeyKFASTOHNRXJRCJ-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.53
Rot. Bonds7

About 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide

3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide (PubChem CID 103598747) has the molecular formula C17H14F2N2O4 and a molecular weight of 348.31 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide
PubChem CID103598747
Molecular FormulaC17H14F2N2O4
Molecular Weight348.31 g/mol
Exact Mass348.09
IUPAC Name3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1OC(F)F)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14F2N2O4/c18-17(19)25-15-7-2-1-5-13(15)8-9-16(22)20-11-12-4-3-6-14(10-12)21(23)24/h1-10,17H,11H2,(H,20,22)
InChIKeyKFASTOHNRXJRCJ-UHFFFAOYSA-N
XLogP3.53
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
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'}

Analyze 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]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

(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 2323673
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(3-nitrophenyl)methyl]urea
CID 86855239
N-[3-[[3-[2-(difluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55893547
N-[(3-nitrophenyl)methyl]but-2-enamide
CID 78978970
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 26130489
4-[[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 55591130
3-[2-(difluoromethoxy)phenyl]-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide
CID 75942994
(E)-3-[2-(difluoromethoxy)phenyl]-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 134036355
N-[2-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 953075
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 35852471
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]prop-2-enamide
CID 39502476
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide (CID 103598747) is 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide is O=C(C=Cc1ccccc1OC(F)F)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide?
The InChIKey is KFASTOHNRXJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4/c18-17(19)25-15-7-2-1-5-13(15)8-9-16(22)20-11-12-4-3-6-14(10-12)21(23)24/h1-10,17H,11H2,(H,20,22).
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide?
3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide has a molecular weight of 348.31 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-N-[(3-nitrophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 103598747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).