N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide

C19H20N4O5 — CID 16611977

IUPACN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c24-18(13-22-8-10-28-11-9-22)20-15-4-6-16(7-5-15)21-19(25)14-2-1-3-17(12-14)23(26)27/h1-7,12H,8-11,13H2,(H,20,24)(H,21,25)
InChIKeyBTFMYLAPWOLSCC-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.12
Rot. Bonds6

About N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide (PubChem CID 16611977) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
PubChem CID16611977
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c24-18(13-22-8-10-28-11-9-22)20-15-4-6-16(7-5-15)21-19(25)14-2-1-3-17(12-14)23(26)27/h1-7,12H,8-11,13H2,(H,20,24)(H,21,25)
InChIKeyBTFMYLAPWOLSCC-UHFFFAOYSA-N
XLogP2.12
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.12
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

2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148292
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-nitrobenzamide
CID 9148289
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(3-nitrobenzoyl)amino]benzamide
CID 1063988
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide (CID 16611977) is N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide?
The InChIKey is BTFMYLAPWOLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c24-18(13-22-8-10-28-11-9-22)20-15-4-6-16(7-5-15)21-19(25)14-2-1-3-17(12-14)23(26)27/h1-7,12H,8-11,13H2,(H,20,24)(H,21,25).
What are the key properties of N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide?
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide has a molecular weight of 384.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 16611977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).