(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide

C24H25BrN4O3 — CID 25361593

IUPAC(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide
SMILESCN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25BrN4O3/c1-28(2)22(17-9-5-3-6-10-17)16-26-23(18-11-7-4-8-12-18)24(30)27-21-14-13-19(29(31)32)15-20(21)25/h3-15,22-23,26H,16H2,1-2H3,(H,27,30)/t22-,23-/m1/s1
InChIKeyPIDSRHNJSNUDBH-DHIUTWEWSA-N
MW497.39 g/mol
LogP4.93
Rot. Bonds9

About (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide

(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide (PubChem CID 25361593) has the molecular formula C24H25BrN4O3 and a molecular weight of 497.39 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide
PubChem CID25361593
Molecular FormulaC24H25BrN4O3
Molecular Weight497.39 g/mol
Exact Mass496.11
IUPAC Name(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide
SMILESCN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25BrN4O3/c1-28(2)22(17-9-5-3-6-10-17)16-26-23(18-11-7-4-8-12-18)24(30)27-21-14-13-19(29(31)32)15-20(21)25/h3-15,22-23,26H,16H2,1-2H3,(H,27,30)/t22-,23-/m1/s1
InChIKeyPIDSRHNJSNUDBH-DHIUTWEWSA-N
XLogP4.93
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.93
H-Bond Donors ≤ 52
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-(2-bromo-4-nitrophenyl)-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 5233772
(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide
CID 25351239
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758
[(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 98410096
[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3,5-dibromo-2-hydroxybenzoate
CID 23741453
3-[(2-bromo-4-nitrophenyl)carbamoyl-methylamino]propanoic acid
CID 107810910
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
CID 4173915
[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55367362
[(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 42524266
(2S)-2-[(2-bromo-4-nitrophenyl)carbamoylamino]propanoic acid
CID 114003684
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 27215844

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide (CID 25361593) is (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide is CN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide?
The InChIKey is PIDSRHNJSNUDBH-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H25BrN4O3/c1-28(2)22(17-9-5-3-6-10-17)16-26-23(18-11-7-4-8-12-18)24(30)27-21-14-13-19(29(31)32)15-20(21)25/h3-15,22-23,26H,16H2,1-2H3,(H,27,30)/t22-,23-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide?
(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide has a molecular weight of 497.39 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 25361593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).