3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide

C16H15N3O5 — CID 14747473

IUPAC3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
SMILESC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c1-11(7-12-5-3-2-4-6-12)17-16(20)13-8-14(18(21)22)10-15(9-13)19(23)24/h2-6,8-11H,7H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeySDPYCSHPZVLLFR-LLVKDONJSA-N
MW329.31 g/mol
LogP2.86
Rot. Bonds6

About 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide

3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide (PubChem CID 14747473) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
PubChem CID14747473
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide
SMILESC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c1-11(7-12-5-3-2-4-6-12)17-16(20)13-8-14(18(21)22)10-15(9-13)19(23)24/h2-6,8-11H,7H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeySDPYCSHPZVLLFR-LLVKDONJSA-N
XLogP2.86
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.86
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

(2R)-2-[(3,5-dinitrobenzoyl)amino]-3-phenylpropanoic acid
CID 7039897
N-(4-methylpentan-2-yl)-3,5-dinitrobenzamide
CID 86117687
methyl 3-nitro-5-[[(2R)-4-phenylbutan-2-yl]carbamoyl]benzoate
CID 1311432
N-[(2S)-1-(2-aminoethylamino)-1-oxo-3-phenylpropan-2-yl]-3,5-dinitrobenzamide
CID 101047254
4-methoxy-3-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 2908679
ethyl 3-[1-(4-bromophenyl)propan-2-ylcarbamoyl]-5-nitrobenzoate
CID 55778546
methyl (2S)-2-[[(2S)-2-[(3,5-dinitrobenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate
CID 14122702
N-(3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-yl)-3,5-dinitrobenzamide
CID 3647708
2,2-bis(4-nitrophenyl)-N-(1-phenylpropan-2-yl)acetamide
CID 3104542
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
octyl (2S)-2-[(3,5-dinitrobenzoyl)amino]-3-phenylpropanoate
CID 87109942

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide?
The IUPAC name of 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide (CID 14747473) is 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide?
The canonical SMILES for 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide is C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide?
The InChIKey is SDPYCSHPZVLLFR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11(7-12-5-3-2-4-6-12)17-16(20)13-8-14(18(21)22)10-15(9-13)19(23)24/h2-6,8-11H,7H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide?
3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-[(2R)-1-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 14747473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).