N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide

C19H19N3O5 — CID 75445339

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C19H19N3O5/c23-19(20-14-4-5-17-13(12-14)6-9-27-17)15-2-1-3-16(22(24)25)18(15)21-7-10-26-11-8-21/h1-5,12H,6-11H2,(H,20,23)
InChIKeyCKECGRNGCYSJCJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.62
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide

N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide (PubChem CID 75445339) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide
PubChem CID75445339
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C19H19N3O5/c23-19(20-14-4-5-17-13(12-14)6-9-27-17)15-2-1-3-16(22(24)25)18(15)21-7-10-26-11-8-21/h1-5,12H,6-11H2,(H,20,23)
InChIKeyCKECGRNGCYSJCJ-UHFFFAOYSA-N
XLogP2.62
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
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

N-[3-(2,5-dioxoimidazolidin-1-yl)-4-methylphenyl]-2-morpholin-4-yl-3-nitrobenzamide
CID 100632929
2,4-dimethyl-5-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 120538235
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 38558640
N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
2-morpholin-4-yl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 86782454
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
cis-(1S,3R)-3-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676325
cis-(1R,3S)-3-[(2-morpholin-4-yl-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678484
2-methyl-5-[[(2-morpholin-4-yl-3-nitrobenzoyl)amino]methyl]furan-3-carboxylic acid
CID 120523884
2-morpholin-4-yl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 75472136
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide (CID 75445339) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide is O=C(Nc1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is CKECGRNGCYSJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-19(20-14-4-5-17-13(12-14)6-9-27-17)15-2-1-3-16(22(24)25)18(15)21-7-10-26-11-8-21/h1-5,12H,6-11H2,(H,20,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 369.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 75445339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).