2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide

C19H21N3O4 — CID 3521406

IUPAC2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C19H21N3O4/c23-19(20-9-8-15-4-2-1-3-5-15)17-14-16(22(24)25)6-7-18(17)21-10-12-26-13-11-21/h1-7,14H,8-13H2,(H,20,23)
InChIKeyPPODYPFPYOVQQP-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.40
Rot. Bonds6

About 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide

2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide (PubChem CID 3521406) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide
PubChem CID3521406
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C19H21N3O4/c23-19(20-9-8-15-4-2-1-3-5-15)17-14-16(22(24)25)6-7-18(17)21-10-12-26-13-11-21/h1-7,14H,8-13H2,(H,20,23)
InChIKeyPPODYPFPYOVQQP-UHFFFAOYSA-N
XLogP2.40
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide (CID 3521406) is 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is PPODYPFPYOVQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-19(20-9-8-15-4-2-1-3-5-15)17-14-16(22(24)25)6-7-18(17)21-10-12-26-13-11-21/h1-7,14H,8-13H2,(H,20,23).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide?
2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 355.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 3521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).