2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

C18H19N3O4 — CID 17220821

IUPAC2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1
InChIInChI=1S/C18H19N3O4/c1-13-4-2-3-5-15(13)18(22)19-16-7-6-14(21(23)24)12-17(16)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyVOAPLCYRWFHGPG-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (PubChem CID 17220821) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
PubChem CID17220821
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1
InChIInChI=1S/C18H19N3O4/c1-13-4-2-3-5-15(13)18(22)19-16-7-6-14(21(23)24)12-17(16)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyVOAPLCYRWFHGPG-UHFFFAOYSA-N
XLogP2.99
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220829
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 60596512
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (CID 17220821) is 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The InChIKey is VOAPLCYRWFHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13-4-2-3-5-15(13)18(22)19-16-7-6-14(21(23)24)12-17(16)20-8-10-25-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is sourced from PubChem (CID 17220821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).