N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide

C17H15ClN4O6 — CID 7339768

IUPACN-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN4O6/c18-13-10-12(21(24)25)2-3-14(13)19-17(23)11-1-4-15(16(9-11)22(26)27)20-5-7-28-8-6-20/h1-4,9-10H,5-8H2,(H,19,23)
InChIKeyDTZJTCCPWFNAER-UHFFFAOYSA-N
MW406.78 g/mol
LogP3.25
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide

N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 7339768) has the molecular formula C17H15ClN4O6 and a molecular weight of 406.78 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID7339768
Molecular FormulaC17H15ClN4O6
Molecular Weight406.78 g/mol
Exact Mass406.07
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15ClN4O6/c18-13-10-12(21(24)25)2-3-14(13)19-17(23)11-1-4-15(16(9-11)22(26)27)20-5-7-28-8-6-20/h1-4,9-10H,5-8H2,(H,19,23)
InChIKeyDTZJTCCPWFNAER-UHFFFAOYSA-N
XLogP3.25
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 17116481
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2979765
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706
4-chloro-N-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide
CID 4824096
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 7339768) is N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is DTZJTCCPWFNAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O6/c18-13-10-12(21(24)25)2-3-14(13)19-17(23)11-1-4-15(16(9-11)22(26)27)20-5-7-28-8-6-20/h1-4,9-10H,5-8H2,(H,19,23).
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 406.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 7339768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).