N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide

C23H19N3O4 — CID 46413115

IUPACN-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H19N3O4/c1-24(14-16-8-2-5-11-19(16)26(29)30)22(27)15-25-20-12-6-3-9-17(20)23(28)18-10-4-7-13-21(18)25/h2-13H,14-15H2,1H3
InChIKeyIXXYUGBCPOKISG-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.72
Rot. Bonds5

About N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide

N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 46413115) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID46413115
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C23H19N3O4/c1-24(14-16-8-2-5-11-19(16)26(29)30)22(27)15-25-20-12-6-3-9-17(20)23(28)18-10-4-7-13-21(18)25/h2-13H,14-15H2,1H3
InChIKeyIXXYUGBCPOKISG-UHFFFAOYSA-N
XLogP3.72
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 110885996
2-[2-[methyl-[(2-nitrophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115586778
N-methyl-N-(naphthalen-2-ylmethyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16621695
N-[(3-fluorophenyl)methyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 18144983
N-methyl-4-[[methyl-[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]benzamide
CID 38744100
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 46399434
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide (CID 46413115) is N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is IXXYUGBCPOKISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-24(14-16-8-2-5-11-19(16)26(29)30)22(27)15-25-20-12-6-3-9-17(20)23(28)18-10-4-7-13-21(18)25/h2-13H,14-15H2,1H3.
What are the key properties of N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide?
N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-nitrophenyl)methyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 46413115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).