N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide

C19H20ClN3O6 — CID 2979765

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl
InChIInChI=1S/C19H20ClN3O6/c1-27-17-11-14(18(28-2)10-13(17)20)21-19(24)12-3-4-15(16(9-12)23(25)26)22-5-7-29-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24)
InChIKeyVWDOZMUMZJWFQB-UHFFFAOYSA-N
MW421.84 g/mol
LogP3.35
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 2979765) has the molecular formula C19H20ClN3O6 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID2979765
Molecular FormulaC19H20ClN3O6
Molecular Weight421.84 g/mol
Exact Mass421.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl
InChIInChI=1S/C19H20ClN3O6/c1-27-17-11-14(18(28-2)10-13(17)20)21-19(24)12-3-4-15(16(9-12)23(25)26)22-5-7-29-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24)
InChIKeyVWDOZMUMZJWFQB-UHFFFAOYSA-N
XLogP3.35
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 53.35
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-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate
CID 17336608
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23097995
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118026
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 17117608
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide (CID 2979765) is N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide is COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is VWDOZMUMZJWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O6/c1-27-17-11-14(18(28-2)10-13(17)20)21-19(24)12-3-4-15(16(9-12)23(25)26)22-5-7-29-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,21,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 421.84 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 2979765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).