(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

C15H10ClN3O5 — CID 84550557

IUPAC(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN3O5/c16-11-4-7-13(14(9-11)19(23)24)17-15(20)8-3-10-1-5-12(6-2-10)18(21)22/h1-9H,(H,17,20)/b8-3+
InChIKeyLPECDXBQJALPRN-FPYGCLRLSA-N
MW347.71 g/mol
LogP3.81
Rot. Bonds5

About (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 84550557) has the molecular formula C15H10ClN3O5 and a molecular weight of 347.71 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID84550557
Molecular FormulaC15H10ClN3O5
Molecular Weight347.71 g/mol
Exact Mass347.03
IUPAC Name(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10ClN3O5/c16-11-4-7-13(14(9-11)19(23)24)17-15(20)8-3-10-1-5-12(6-2-10)18(21)22/h1-9H,(H,17,20)/b8-3+
InChIKeyLPECDXBQJALPRN-FPYGCLRLSA-N
XLogP3.81
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.71
LogP ≤ 53.81
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'}

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Related Compounds

(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6293145
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
4-chloro-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid
CID 54421406
N-(2-benzoyl-4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4652681
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-nitrophenyl)prop-2-enamide
CID 19168176
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4948422
(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550562
3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 84550557) is (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is LPECDXBQJALPRN-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10ClN3O5/c16-11-4-7-13(14(9-11)19(23)24)17-15(20)8-3-10-1-5-12(6-2-10)18(21)22/h1-9H,(H,17,20)/b8-3+.
What are the key properties of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 347.71 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 84550557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).