2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide

C11H13ClN4O4 — CID 107200771

IUPAC2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NN1CCOCC1
InChIInChI=1S/C11H13ClN4O4/c12-9-6-7(16(18)19)5-8(10(9)13)11(17)14-15-1-3-20-4-2-15/h5-6H,1-4,13H2,(H,14,17)
InChIKeyKZPAMAYZFKTLGA-UHFFFAOYSA-N
MW300.70 g/mol
LogP0.81
Rot. Bonds3

About 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide

2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide (PubChem CID 107200771) has the molecular formula C11H13ClN4O4 and a molecular weight of 300.70 g/mol. Its IUPAC name is 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
PubChem CID107200771
Molecular FormulaC11H13ClN4O4
Molecular Weight300.70 g/mol
Exact Mass300.06
IUPAC Name2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NN1CCOCC1
InChIInChI=1S/C11H13ClN4O4/c12-9-6-7(16(18)19)5-8(10(9)13)11(17)14-15-1-3-20-4-2-15/h5-6H,1-4,13H2,(H,14,17)
InChIKeyKZPAMAYZFKTLGA-UHFFFAOYSA-N
XLogP0.81
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(morpholin-4-ylamino)-5-nitrobenzoic acid
CID 107191107
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2,3-dichloro-5-nitro-N-piperidin-1-ylbenzamide
CID 107189307
2-amino-3-chloro-5-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 107200453
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2-amino-5-hydroxy-N-morpholin-4-ylbenzamide
CID 107075854
2-amino-3-chloro-N-(1,4-dioxan-2-ylmethyl)-5-nitrobenzamide
CID 107200159
3,4-dichloro-N-morpholin-4-yl-5-nitrobenzamide
CID 78906552
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
2-chloro-N-morpholin-4-yl-3-nitropyridine-4-carboxamide
CID 83013710

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide (CID 107200771) is 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide is Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)NN1CCOCC1.
What is the InChIKey of 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is KZPAMAYZFKTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O4/c12-9-6-7(16(18)19)5-8(10(9)13)11(17)14-15-1-3-20-4-2-15/h5-6H,1-4,13H2,(H,14,17).
What are the key properties of 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide?
2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 300.70 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 107200771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).