2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide

C13H16ClN3O4 — CID 743663

IUPAC2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
SMILESO=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H16ClN3O4/c14-12-2-1-10(17(19)20)9-11(12)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)
InChIKeyAQPFXWDONFUCFG-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.31
Rot. Bonds5

About 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide

2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide (PubChem CID 743663) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
PubChem CID743663
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
SMILESO=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H16ClN3O4/c14-12-2-1-10(17(19)20)9-11(12)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)
InChIKeyAQPFXWDONFUCFG-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'}

Analyze 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Chloro-5-nitrobenzoyl)-4-phenylpiperazine
CID 710808
2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142
4-chloro-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
CID 755229
(2-Chloro-5-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 717962
1-Benzyl-4-(2-chloro-5-nitrobenzoyl)piperazine
CID 1070122
N-{1-[(4-chlorophenyl)methylene]-2-morpholin-4-yl-2-oxoethyl}(4-nitrophenyl)ca rboxamide
CID 5440628
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 743310
2-chloro-N-cyclooctyl-5-nitrobenzamide
CID 881088
2-chloro-5-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 2851418
4-chloro-N-[2-(4-morpholinyl)ethyl]-2-nitrobenzamide
CID 743667
Tert-butyl 4-[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 16038217
Methyl 2-[1-(2-chloro-5-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4385862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide (CID 743663) is 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide is O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide?
The InChIKey is AQPFXWDONFUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c14-12-2-1-10(17(19)20)9-11(12)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 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide?
2-chloro-N-(2-morpholin-4-ylethyl)-5-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 2-chloro-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide is sourced from PubChem (CID 743663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).