4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide

C24H23ClN4O4 — CID 5092379

IUPAC4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C24H23ClN4O4/c25-19-6-2-1-5-18(19)16-26-20-10-9-17(15-23(20)29(31)32)24(30)27-21-7-3-4-8-22(21)28-11-13-33-14-12-28/h1-10,15,26H,11-14,16H2,(H,27,30)
InChIKeyUCEUFEKZFRFMIQ-UHFFFAOYSA-N
MW466.93 g/mol
LogP4.95
Rot. Bonds7

About 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide

4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide (PubChem CID 5092379) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide
PubChem CID5092379
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C24H23ClN4O4/c25-19-6-2-1-5-18(19)16-26-20-10-9-17(15-23(20)29(31)32)24(30)27-21-7-3-4-8-22(21)28-11-13-33-14-12-28/h1-10,15,26H,11-14,16H2,(H,27,30)
InChIKeyUCEUFEKZFRFMIQ-UHFFFAOYSA-N
XLogP4.95
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,4-dimorpholin-4-ylphenyl)-3-nitrobenzamide
CID 4824096
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
4-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214
4-[(2-chlorophenyl)methylamino]-3-nitrobenzoate
CID 7062960
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
4-[(2-chlorophenyl)methylamino]-3-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55369215
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17177066
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
[4-[(2-chlorophenyl)methylamino]-3-nitrophenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112771892

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide (CID 5092379) is 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
The InChIKey is UCEUFEKZFRFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c25-19-6-2-1-5-18(19)16-26-20-10-9-17(15-23(20)29(31)32)24(30)27-21-7-3-4-8-22(21)28-11-13-33-14-12-28/h1-10,15,26H,11-14,16H2,(H,27,30).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide?
4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide has a molecular weight of 466.93 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-(2-morpholin-4-ylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 5092379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).