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

C15H10ClN3O5 — CID 5065196

IUPACN-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H10ClN3O5/c16-13-9-12(19(23)24)5-6-14(13)17-15(20)7-4-10-2-1-3-11(8-10)18(21)22/h1-9H,(H,17,20)
InChIKeyPUJWLDVQVVCPEW-UHFFFAOYSA-N
MW347.71 g/mol
LogP3.81
Rot. Bonds5

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

N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 5065196) has the molecular formula C15H10ClN3O5 and a molecular weight of 347.71 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID5065196
Molecular FormulaC15H10ClN3O5
Molecular Weight347.71 g/mol
Exact Mass347.03
IUPAC NameN-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H10ClN3O5/c16-13-9-12(19(23)24)5-6-14(13)17-15(20)7-4-10-2-1-3-11(8-10)18(21)22/h1-9H,(H,17,20)
InChIKeyPUJWLDVQVVCPEW-UHFFFAOYSA-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-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
4-chloro-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292109
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
N-(3-acetamido-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 103598612
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3962327

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 5065196) is N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is PUJWLDVQVVCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O5/c16-13-9-12(19(23)24)5-6-14(13)17-15(20)7-4-10-2-1-3-11(8-10)18(21)22/h1-9H,(H,17,20).
What are the key properties of N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(2-chloro-4-nitrophenyl)-3-(3-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 N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5065196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).