4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

C13H16ClN3O4 — CID 755229

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16ClN3O4/c14-11-2-1-10(9-12(11)17(19)20)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)
InChIKeyNBNGNCSTXUFEDE-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.31
Rot. Bonds5

About 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide (PubChem CID 755229) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
PubChem CID755229
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16ClN3O4/c14-11-2-1-10(9-12(11)17(19)20)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)
InChIKeyNBNGNCSTXUFEDE-UHFFFAOYSA-N
XLogP1.31
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.31
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

4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
N-{1-[(4-chlorophenyl)methylene]-2-morpholin-4-yl-2-oxoethyl}(4-nitrophenyl)ca rboxamide
CID 5440628
Benzamide, 3-nitro-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-
CID 508729
4-methyl-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
CID 743310
2-chloro-N-[2-(morpholin-4-yl)ethyl]-5-nitrobenzamide
CID 743663
4-chloro-N-(morpholin-4-yl)-3-nitrobenzamide
CID 4415984
4-chloro-N-[2-(morpholin-4-yl)ethyl]-2-nitrobenzamide
CID 743667
Ro 12-5637
CID 163052
3,5-dichloro-N-[2-(4-morpholinyl)ethyl]-2-[(3-nitrobenzoyl)amino]benzamide
CID 1313978
4-chloro-N-{3-[(isobutylamino)carbonyl]phenyl}-3-nitrobenzamide
CID 1369299
4-chloro-N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 2376687
4-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 2428279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide (CID 755229) is 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide is O=C(NCCN1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The InChIKey is NBNGNCSTXUFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c14-11-2-1-10(9-12(11)17(19)20)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide has a molecular weight of 313.74 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide is sourced from PubChem (CID 755229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).