N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide

C20H14Cl2N2O4 — CID 1229718

IUPACN-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H14Cl2N2O4/c21-15-5-10-18(22)19(11-15)23-20(25)14-3-1-13(2-4-14)12-28-17-8-6-16(7-9-17)24(26)27/h1-11H,12H2,(H,23,25)
InChIKeyHCXPWANQZSSJQF-UHFFFAOYSA-N
MW417.25 g/mol
LogP5.73
Rot. Bonds6

About N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide

N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide (PubChem CID 1229718) has the molecular formula C20H14Cl2N2O4 and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
PubChem CID1229718
Molecular FormulaC20H14Cl2N2O4
Molecular Weight417.25 g/mol
Exact Mass416.03
IUPAC NameN-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H14Cl2N2O4/c21-15-5-10-18(22)19(11-15)23-20(25)14-3-1-13(2-4-14)12-28-17-8-6-16(7-9-17)24(26)27/h1-11H,12H2,(H,23,25)
InChIKeyHCXPWANQZSSJQF-UHFFFAOYSA-N
XLogP5.73
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.25
LogP ≤ 55.73
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-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
N-(2,5-dichlorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1225788
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4534000
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
[4-[(2,5-dichlorophenyl)carbamoyl]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19181830
[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl] propanoate
CID 17359120
methyl 4-[(4-nitrophenyl)methoxy]benzoate
CID 802052

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide (CID 1229718) is N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide?
The InChIKey is HCXPWANQZSSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O4/c21-15-5-10-18(22)19(11-15)23-20(25)14-3-1-13(2-4-14)12-28-17-8-6-16(7-9-17)24(26)27/h1-11H,12H2,(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide?
N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide has a molecular weight of 417.25 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-[(4-nitrophenoxy)methyl]benzamide is sourced from PubChem (CID 1229718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).