(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide

C21H15ClN2O4 — CID 16568447

IUPAC(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C21H15ClN2O4/c22-16-8-2-5-11-19(16)28-20-12-6-3-9-17(20)23-21(25)14-13-15-7-1-4-10-18(15)24(26)27/h1-14H,(H,23,25)/b14-13+
InChIKeyCZOIGFYWZIPRNF-BUHFOSPRSA-N
MW394.81 g/mol
LogP5.69
Rot. Bonds6

About (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 16568447) has the molecular formula C21H15ClN2O4 and a molecular weight of 394.81 g/mol. Its IUPAC name is (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID16568447
Molecular FormulaC21H15ClN2O4
Molecular Weight394.81 g/mol
Exact Mass394.07
IUPAC Name(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C21H15ClN2O4/c22-16-8-2-5-11-19(16)28-20-12-6-3-9-17(20)23-21(25)14-13-15-7-1-4-10-18(15)24(26)27/h1-14H,(H,23,25)/b14-13+
InChIKeyCZOIGFYWZIPRNF-BUHFOSPRSA-N
XLogP5.69
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.81
LogP ≤ 55.69
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 (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)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-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
CID 9470311
4-chloro-3-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292089
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 92909271
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 26764102
4-chloro-2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292141

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide (CID 16568447) is (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is CZOIGFYWZIPRNF-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H15ClN2O4/c22-16-8-2-5-11-19(16)28-20-12-6-3-9-17(20)23-21(25)14-13-15-7-1-4-10-18(15)24(26)27/h1-14H,(H,23,25)/b14-13+.
What are the key properties of (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 394.81 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 16568447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).