N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

C20H16N4O4 — CID 2963474

IUPACN-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESO=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N4O4/c25-18(21-13-6-3-7-14(10-13)24(27)28)11-17-20(26)23-16-9-2-5-12-4-1-8-15(22-17)19(12)16/h1-10,17,22H,11H2,(H,21,25)(H,23,26)
InChIKeyGXWFDGFJGOZXQP-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.51
Rot. Bonds4

About N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide

N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (PubChem CID 2963474) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
PubChem CID2963474
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
SMILESO=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H16N4O4/c25-18(21-13-6-3-7-14(10-13)24(27)28)11-17-20(26)23-16-9-2-5-12-4-1-8-15(22-17)19(12)16/h1-10,17,22H,11H2,(H,21,25)(H,23,26)
InChIKeyGXWFDGFJGOZXQP-UHFFFAOYSA-N
XLogP3.51
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
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

N-(3-acetylphenyl)-2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetamide
CID 7457927
2-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2242059
N-(4-acetylphenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
CID 2963469
2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide
CID 1288963
methyl 2-[[2-[(11R)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetyl]amino]benzoate
CID 2242058
methyl 2-[[2-[(11S)-12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl]acetyl]amino]benzoate
CID 2242057
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-methylphenyl)acetamide
CID 3149572
N-(3-nitrophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618395
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
1-(3-nitrophenyl)-3-[[5-[[(3-nitrophenyl)carbamoylamino]methyl]-3,6-dioxopiperazin-2-yl]methyl]urea
CID 122394482

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide (CID 2963474) is N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is O=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
The InChIKey is GXWFDGFJGOZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-18(21-13-6-3-7-14(10-13)24(27)28)11-17-20(26)23-16-9-2-5-12-4-1-8-15(22-17)19(12)16/h1-10,17,22H,11H2,(H,21,25)(H,23,26).
What are the key properties of N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide?
N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide has a molecular weight of 376.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide is sourced from PubChem (CID 2963474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).