(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide

C15H12BrFN2O4 — CID 8956661

IUPAC(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN2O4/c1-9(23-12-4-2-3-11(8-12)19(21)22)15(20)18-14-6-5-10(16)7-13(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyZUCMLBYQURZRPT-SECBINFHSA-N
MW383.17 g/mol
LogP3.90
Rot. Bonds5

About (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide

(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide (PubChem CID 8956661) has the molecular formula C15H12BrFN2O4 and a molecular weight of 383.17 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
PubChem CID8956661
Molecular FormulaC15H12BrFN2O4
Molecular Weight383.17 g/mol
Exact Mass382.00
IUPAC Name(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN2O4/c1-9(23-12-4-2-3-11(8-12)19(21)22)15(20)18-14-6-5-10(16)7-13(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyZUCMLBYQURZRPT-SECBINFHSA-N
XLogP3.90
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S)-N-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 95079877
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865411
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 18084154
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide (CID 8956661) is (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide is C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide?
The InChIKey is ZUCMLBYQURZRPT-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrFN2O4/c1-9(23-12-4-2-3-11(8-12)19(21)22)15(20)18-14-6-5-10(16)7-13(14)17/h2-9H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide?
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide has a molecular weight of 383.17 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-fluorophenyl)-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 8956661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).