N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide

C11H10Cl2N2O3 — CID 151794274

IUPACN-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
SMILESCC(=O)Nc1c(C(C)=C(Cl)Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10Cl2N2O3/c1-6(11(12)13)8-4-3-5-9(15(17)18)10(8)14-7(2)16/h3-5H,1-2H3,(H,14,16)
InChIKeyRXGMMBMBMFOLQB-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.72
Rot. Bonds3

About N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide

N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide (PubChem CID 151794274) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
PubChem CID151794274
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC NameN-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide
SMILESCC(=O)Nc1c(C(C)=C(Cl)Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10Cl2N2O3/c1-6(11(12)13)8-4-3-5-9(15(17)18)10(8)14-7(2)16/h3-5H,1-2H3,(H,14,16)
InChIKeyRXGMMBMBMFOLQB-UHFFFAOYSA-N
XLogP3.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetyl-6-nitrophenyl)acetamide
CID 4639280
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249
1-(1,1-dichloroprop-1-en-2-yl)-2-nitrobenzene;1-(2-nitrophenyl)ethanone
CID 159884604
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
methane;2-nitro-6-phenylaniline;N-(2-nitro-6-phenylphenyl)acetamide
CID 159190796
2-methoxy-3-nitrobenzoyl chloride
CID 21406531
methyl (E)-3-(2-acetamido-3-nitrophenyl)prop-2-enoate
CID 18433472
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
(2-acetamido-3-hydroxyphenyl)arsonic acid;2-nitrobenzoic acid
CID 174786289

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide?
The IUPAC name of N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide (CID 151794274) is N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide.
What is the SMILES notation for N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide?
The canonical SMILES for N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide is CC(=O)Nc1c(C(C)=C(Cl)Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide?
The InChIKey is RXGMMBMBMFOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c1-6(11(12)13)8-4-3-5-9(15(17)18)10(8)14-7(2)16/h3-5H,1-2H3,(H,14,16).
What are the key properties of N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide?
N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide has a molecular weight of 289.12 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dichloroprop-1-en-2-yl)-6-nitrophenyl]acetamide is sourced from PubChem (CID 151794274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).