(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide

C19H16BrN3O4 — CID 25351239

IUPAC(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCc1ccco1)c1ccccc1
InChIInChI=1S/C19H16BrN3O4/c20-16-11-14(23(25)26)8-9-17(16)22-19(24)18(13-5-2-1-3-6-13)21-12-15-7-4-10-27-15/h1-11,18,21H,12H2,(H,22,24)/t18-/m1/s1
InChIKeyAOCNSPCSVWTOBJ-GOSISDBHSA-N
MW430.26 g/mol
LogP4.42
Rot. Bonds7

About (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide

(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide (PubChem CID 25351239) has the molecular formula C19H16BrN3O4 and a molecular weight of 430.26 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide
PubChem CID25351239
Molecular FormulaC19H16BrN3O4
Molecular Weight430.26 g/mol
Exact Mass429.03
IUPAC Name(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCc1ccco1)c1ccccc1
InChIInChI=1S/C19H16BrN3O4/c20-16-11-14(23(25)26)8-9-17(16)22-19(24)18(13-5-2-1-3-6-13)21-12-15-7-4-10-27-15/h1-11,18,21H,12H2,(H,22,24)/t18-/m1/s1
InChIKeyAOCNSPCSVWTOBJ-GOSISDBHSA-N
XLogP4.42
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 54.42
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'}

Analyze (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide 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

(2R)-N-(2-bromo-4-nitrophenyl)-2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-phenylacetamide
CID 25361593
N-(2-bromo-4-nitrophenyl)-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 5233772
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(furan-2-ylmethylamino)-2-phenylacetamide
CID 4842465
2-(furan-2-ylmethylamino)-5-nitrobenzoic acid
CID 2725579
2-(furan-2-ylmethylamino)-5-nitrobenzoate
CID 7202536
2-[(4-nitrophenyl)methylamino]-N,2-diphenylacetamide
CID 60542252
2-(furan-2-ylmethylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid
CID 18858543
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
CID 4173915
[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 3,5-dibromo-2-hydroxybenzoate
CID 23741453
[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55367362
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
[(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 42524266

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide (CID 25351239) is (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide is O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](NCc1ccco1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide?
The InChIKey is AOCNSPCSVWTOBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H16BrN3O4/c20-16-11-14(23(25)26)8-9-17(16)22-19(24)18(13-5-2-1-3-6-13)21-12-15-7-4-10-27-15/h1-11,18,21H,12H2,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide?
(2R)-N-(2-bromo-4-nitrophenyl)-2-(furan-2-ylmethylamino)-2-phenylacetamide has a molecular weight of 430.26 g/mol, XLogP of 4.42, 7 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-(furan-2-ylmethylamino)-2-phenylacetamide is sourced from PubChem (CID 25351239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).