2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide

C19H19N3O5 — CID 60596512

IUPAC2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H19N3O5/c1-13-6-7-14(22(25)26)12-16(13)18(23)20-17-5-3-2-4-15(17)19(24)21-8-10-27-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyHCJMGCKJERHRPD-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide

2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide (PubChem CID 60596512) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
PubChem CID60596512
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H19N3O5/c1-13-6-7-14(22(25)26)12-16(13)18(23)20-17-5-3-2-4-15(17)19(24)21-8-10-27-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyHCJMGCKJERHRPD-UHFFFAOYSA-N
XLogP2.63
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.63
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-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090
methyl 3-[[2-(morpholine-4-carbonyl)phenyl]carbamoyl]-5-nitrobenzoate
CID 3938037
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
3,4,5-trimethoxy-N-[2-(morpholine-4-carbonyl)phenyl]-2-nitrobenzamide
CID 55546101
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 4933099
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-(N-methylsulfonyl-3-nitroanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 2957206
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
The IUPAC name of 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide (CID 60596512) is 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
The canonical SMILES for 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
The InChIKey is HCJMGCKJERHRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-13-6-7-14(22(25)26)12-16(13)18(23)20-17-5-3-2-4-15(17)19(24)21-8-10-27-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide?
2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide has a molecular weight of 369.38 g/mol, XLogP of 2.63, 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-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide is sourced from PubChem (CID 60596512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).