2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide

C12H13Cl2N3O4 — CID 107192102

IUPAC2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
SMILESO=C(NCC1CNCCO1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O4/c13-10-4-7(17(19)20)3-9(11(10)14)12(18)16-6-8-5-15-1-2-21-8/h3-4,8,15H,1-2,5-6H2,(H,16,18)
InChIKeyYLTMZOGKURTPCT-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.62
Rot. Bonds4

About 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide

2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide (PubChem CID 107192102) has the molecular formula C12H13Cl2N3O4 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
PubChem CID107192102
Molecular FormulaC12H13Cl2N3O4
Molecular Weight334.16 g/mol
Exact Mass333.03
IUPAC Name2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
SMILESO=C(NCC1CNCCO1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O4/c13-10-4-7(17(19)20)3-9(11(10)14)12(18)16-6-8-5-15-1-2-21-8/h3-4,8,15H,1-2,5-6H2,(H,16,18)
InChIKeyYLTMZOGKURTPCT-UHFFFAOYSA-N
XLogP1.62
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
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

3-chloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 115323738
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
N-(azetidin-3-yl)-2,3-dichloro-5-nitrobenzamide
CID 107192016
2,3-dichloro-5-nitro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107188968
2-amino-3-chloro-N-(1,4-dioxan-2-ylmethyl)-5-nitrobenzamide
CID 107200159
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
2-chloro-N-(1,4-dioxan-2-ylmethyl)-4-nitrobenzamide
CID 47296658
N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 115323770
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide?
The IUPAC name of 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide (CID 107192102) is 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide.
What is the SMILES notation for 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide?
The canonical SMILES for 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide is O=C(NCC1CNCCO1)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide?
The InChIKey is YLTMZOGKURTPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O4/c13-10-4-7(17(19)20)3-9(11(10)14)12(18)16-6-8-5-15-1-2-21-8/h3-4,8,15H,1-2,5-6H2,(H,16,18).
What are the key properties of 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide?
2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide has a molecular weight of 334.16 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide is sourced from PubChem (CID 107192102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).