(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide

C15H10Cl2N2O3 — CID 92909271

IUPAC(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O3/c16-11-4-3-5-12(17)10(11)8-9-15(20)18-13-6-1-2-7-14(13)19(21)22/h1-9H,(H,18,20)/b9-8-
InChIKeyUPHYAXZICGIZRR-HJWRWDBZSA-N
MW337.16 g/mol
LogP4.55
Rot. Bonds4

About (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide

(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide (PubChem CID 92909271) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
PubChem CID92909271
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O3/c16-11-4-3-5-12(17)10(11)8-9-15(20)18-13-6-1-2-7-14(13)19(21)22/h1-9H,(H,18,20)/b9-8-
InChIKeyUPHYAXZICGIZRR-HJWRWDBZSA-N
XLogP4.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 1001666
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2931896
4,6-dichloro-3-[3-(2-nitroanilino)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
CID 54549086
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458
(2E,4E)-N-(2-nitrophenyl)hexa-2,4-dienamide
CID 11436192
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
3-(2-chloro-6-nitrophenyl)prop-2-enoic acid
CID 53401627
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 51057586
(E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 26309297
3-(4-chloro-3-nitrophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 960318
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide (CID 92909271) is (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide is O=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
The InChIKey is UPHYAXZICGIZRR-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-11-4-3-5-12(17)10(11)8-9-15(20)18-13-6-1-2-7-14(13)19(21)22/h1-9H,(H,18,20)/b9-8-.
What are the key properties of (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide?
(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide has a molecular weight of 337.16 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 92909271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).