N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide

C16H14Cl2N2O3 — CID 43010406

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-19(10-12-4-7-14(17)15(18)8-12)16(21)9-11-2-5-13(6-3-11)20(22)23/h2-8H,9-10H2,1H3
InChIKeyIRBYUYYYPYTWSG-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.10
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide (PubChem CID 43010406) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
PubChem CID43010406
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14Cl2N2O3/c1-19(10-12-4-7-14(17)15(18)8-12)16(21)9-11-2-5-13(6-3-11)20(22)23/h2-8H,9-10H2,1H3
InChIKeyIRBYUYYYPYTWSG-UHFFFAOYSA-N
XLogP4.10
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
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

[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 27867956
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
ethyl 3-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]-5-nitrobenzoate
CID 27795448
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 69063860
N-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 122144255
(4-nitrophenyl) 2-(3,4-dichlorophenyl)acetate
CID 7900958
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 34193774
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide (CID 43010406) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The InChIKey is IRBYUYYYPYTWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-19(10-12-4-7-14(17)15(18)8-12)16(21)9-11-2-5-13(6-3-11)20(22)23/h2-8H,9-10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide has a molecular weight of 353.21 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 43010406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).