2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide

C18H19N3O4 — CID 99829011

IUPAC2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H19N3O4/c19-16-7-6-14(21(23)24)11-15(16)18(22)20-13-8-9-25-17(10-13)12-4-2-1-3-5-12/h1-7,11,13,17H,8-10,19H2,(H,20,22)/t13-,17-/m1/s1
InChIKeyPWQMYUSQNLRHOR-CXAGYDPISA-N
MW341.37 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide

2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide (PubChem CID 99829011) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide
PubChem CID99829011
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H19N3O4/c19-16-7-6-14(21(23)24)11-15(16)18(22)20-13-8-9-25-17(10-13)12-4-2-1-3-5-12/h1-7,11,13,17H,8-10,19H2,(H,20,22)/t13-,17-/m1/s1
InChIKeyPWQMYUSQNLRHOR-CXAGYDPISA-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'}

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Related Compounds

4-amino-3-nitro-N-(2-phenyloxan-4-yl)benzamide
CID 154862046
2-amino-N-(2-methyloxan-4-yl)-5-nitrobenzamide
CID 102977113
2-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-5-nitrobenzamide
CID 99785349
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083
2-amino-N-(2-methylcyclopropyl)-5-nitrobenzamide
CID 62410185
cis-(1R,3S)-2,2-dimethyl-3-[(2-phenyloxan-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122066668
sodium 4,5-difluoro-2-[[2-(4-fluorophenyl)oxan-4-yl]carbamoyl]benzoate
CID 167779269
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
methyl 2-chloro-5-nitro-4-[(2-phenyloxan-4-yl)amino]benzoate
CID 133474056
N-(4-methyl-2-nitrophenyl)-2-phenyloxan-4-amine
CID 133473991
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide?
The IUPAC name of 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide (CID 99829011) is 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide.
What is the SMILES notation for 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide?
The canonical SMILES for 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide?
The InChIKey is PWQMYUSQNLRHOR-CXAGYDPISA-N. The full InChI is InChI=1S/C18H19N3O4/c19-16-7-6-14(21(23)24)11-15(16)18(22)20-13-8-9-25-17(10-13)12-4-2-1-3-5-12/h1-7,11,13,17H,8-10,19H2,(H,20,22)/t13-,17-/m1/s1.
What are the key properties of 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide?
2-amino-5-nitro-N-[(2R,4R)-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 2-amino-5-nitro-N-[(2R,4R)-2-phenyloxan-4-yl]benzamide is sourced from PubChem (CID 99829011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).