3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

C18H18ClN3O4 — CID 17220829

IUPAC3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-12-2-3-13(10-15(12)19)18(23)20-16-5-4-14(22(24)25)11-17(16)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeySEVGFSLSEULVGS-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.65
Rot. Bonds4

About 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (PubChem CID 17220829) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
PubChem CID17220829
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-12-2-3-13(10-15(12)19)18(23)20-16-5-4-14(22(24)25)11-17(16)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23)
InChIKeySEVGFSLSEULVGS-UHFFFAOYSA-N
XLogP3.65
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.65
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-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220891
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)-3-nitrobenzamide
CID 17220890
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (CID 17220829) is 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The InChIKey is SEVGFSLSEULVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-12-2-3-13(10-15(12)19)18(23)20-16-5-4-14(22(24)25)11-17(16)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23).
What are the key properties of 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide has a molecular weight of 375.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is sourced from PubChem (CID 17220829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).