N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide

C14H10Cl2N2O4 — CID 711542

IUPACN-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O4/c1-22-13-5-2-8(6-12(13)18(20)21)14(19)17-11-4-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,19)
InChIKeyBLCZVNOLFVGOND-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.16
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide

N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 711542) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
PubChem CID711542
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC NameN-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10Cl2N2O4/c1-22-13-5-2-8(6-12(13)18(20)21)14(19)17-11-4-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,19)
InChIKeyBLCZVNOLFVGOND-UHFFFAOYSA-N
XLogP4.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate
CID 8708176
N-(2,4-dichlorophenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 4849217
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 26637653
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide
CID 132816125
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
N-(6-chloropyridazin-3-yl)-4-methoxy-3-nitrobenzamide
CID 115608630
dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
CID 601931

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide (CID 711542) is N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is BLCZVNOLFVGOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c1-22-13-5-2-8(6-12(13)18(20)21)14(19)17-11-4-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide?
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 341.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 711542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).