3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

C16H12Cl2N2O3 — CID 2931896

IUPAC3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N2O3/c1-10-9-11(20(22)23)5-7-15(10)19-16(21)8-6-12-13(17)3-2-4-14(12)18/h2-9H,1H3,(H,19,21)
InChIKeyIGWGQAWZTMKKRG-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.86
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide (PubChem CID 2931896) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
PubChem CID2931896
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N2O3/c1-10-9-11(20(22)23)5-7-15(10)19-16(21)8-6-12-13(17)3-2-4-14(12)18/h2-9H,1H3,(H,19,21)
InChIKeyIGWGQAWZTMKKRG-UHFFFAOYSA-N
XLogP4.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.86
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

3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2933195
(Z)-3-(2,6-dichlorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 92909271
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
(E)-3-(2-chloro-6-fluorophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 6138272
(E)-3-(2,6-dichlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 26877037
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 2905603
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
(E)-N-(2-methyl-5-nitrophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26576813

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide (CID 2931896) is 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
The InChIKey is IGWGQAWZTMKKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c1-10-9-11(20(22)23)5-7-15(10)19-16(21)8-6-12-13(17)3-2-4-14(12)18/h2-9H,1H3,(H,19,21).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide?
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide has a molecular weight of 351.19 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2931896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).