4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide

C18H19N3O4 — CID 154862046

IUPAC4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCOC(c3ccccc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c19-15-7-6-13(10-16(15)21(23)24)18(22)20-14-8-9-25-17(11-14)12-4-2-1-3-5-12/h1-7,10,14,17H,8-9,11,19H2,(H,20,22)
InChIKeyBNVCJUDCMGXASV-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.83
Rot. Bonds4

About 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide

4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide (PubChem CID 154862046) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
PubChem CID154862046
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCOC(c3ccccc3)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c19-15-7-6-13(10-16(15)21(23)24)18(22)20-14-8-9-25-17(11-14)12-4-2-1-3-5-12/h1-7,10,14,17H,8-9,11,19H2,(H,20,22)
InChIKeyBNVCJUDCMGXASV-UHFFFAOYSA-N
XLogP2.83
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide
CID 99829011
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
4-amino-N-(3-methylcyclopentyl)-3-nitrobenzamide
CID 114540566
4-amino-N-(3-methylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103708443
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-4-hydroxy-3-nitrobenzamide
CID 99703380
N-(4-methyl-2-nitrophenyl)-2-phenyloxan-4-amine
CID 133473991
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 42925944
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083
2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
4-amino-3-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7550785

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide?
The IUPAC name of 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide (CID 154862046) is 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide.
What is the SMILES notation for 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide?
The canonical SMILES for 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide is Nc1ccc(C(=O)NC2CCOC(c3ccccc3)C2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide?
The InChIKey is BNVCJUDCMGXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c19-15-7-6-13(10-16(15)21(23)24)18(22)20-14-8-9-25-17(11-14)12-4-2-1-3-5-12/h1-7,10,14,17H,8-9,11,19H2,(H,20,22).
What are the key properties of 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide?
4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide is sourced from PubChem (CID 154862046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).