(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide

C15H14N4O5 — CID 51984141

IUPAC(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H14N4O5/c1-16-15(20)14(10-5-3-2-4-6-10)17-12-8-7-11(18(21)22)9-13(12)19(23)24/h2-9,14,17H,1H3,(H,16,20)/t14-/m1/s1
InChIKeyODOHECFILOSHRT-CQSZACIVSA-N
MW330.30 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide

(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide (PubChem CID 51984141) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide
PubChem CID51984141
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H14N4O5/c1-16-15(20)14(10-5-3-2-4-6-10)17-12-8-7-11(18(21)22)9-13(12)19(23)24/h2-9,14,17H,1H3,(H,16,20)/t14-/m1/s1
InChIKeyODOHECFILOSHRT-CQSZACIVSA-N
XLogP2.40
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
CID 70136769
(2R)-2-(2,4-dinitroanilino)butanedioic acid
CID 15593838
(2S)-2-(2,4-dinitroanilino)-1,1-diphenylpropan-1-ol
CID 100986613
(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
(2R)-2-(2,4-dinitroanilino)-3-phenylpropanoate
CID 7266696
3-(2,4-dinitroanilino)-1-phenylbutan-2-ol
CID 133400322
(2,4-dinitrophenyl)carbamic acid
CID 154114547
2-(2,4-dinitroanilino)-3-methylbutanamide
CID 103801571
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172
2-(2,4-dinitroanilino)-N-methylacetamide
CID 60647475
methyl (2S)-2-(2,4-dinitroanilino)-3-methylbutanoate
CID 22295077
4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-nitrobenzoic acid
CID 61467854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide (CID 51984141) is (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide is CNC(=O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide?
The InChIKey is ODOHECFILOSHRT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-16-15(20)14(10-5-3-2-4-6-10)17-12-8-7-11(18(21)22)9-13(12)19(23)24/h2-9,14,17H,1H3,(H,16,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide?
(2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide has a molecular weight of 330.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dinitroanilino)-N-methyl-2-phenylacetamide is sourced from PubChem (CID 51984141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).