(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide

C16H14BrFN2O5 — CID 8728702

IUPAC(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrFN2O5/c1-9(25-15-6-3-10(18)7-12(15)17)16(21)19-13-5-4-11(24-2)8-14(13)20(22)23/h3-9H,1-2H3,(H,19,21)/t9-/m1/s1
InChIKeySPVHGZDWDRYIOW-SECBINFHSA-N
MW413.20 g/mol
LogP3.91
Rot. Bonds6

About (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide

(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide (PubChem CID 8728702) has the molecular formula C16H14BrFN2O5 and a molecular weight of 413.20 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
PubChem CID8728702
Molecular FormulaC16H14BrFN2O5
Molecular Weight413.20 g/mol
Exact Mass412.01
IUPAC Name(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14BrFN2O5/c1-9(25-15-6-3-10(18)7-12(15)17)16(21)19-13-5-4-11(24-2)8-14(13)20(22)23/h3-9H,1-2H3,(H,19,21)/t9-/m1/s1
InChIKeySPVHGZDWDRYIOW-SECBINFHSA-N
XLogP3.91
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.20
LogP ≤ 53.91
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)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2R)-2-(3-bromophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 7090808
[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728266
[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540067
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
(2S)-2-(2-bromo-4-fluorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728755
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631758
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 5-bromothiophene-2-carboxylate
CID 46621235
2-(5-fluoro-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 4842522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide (CID 8728702) is (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
The InChIKey is SPVHGZDWDRYIOW-SECBINFHSA-N. The full InChI is InChI=1S/C16H14BrFN2O5/c1-9(25-15-6-3-10(18)7-12(15)17)16(21)19-13-5-4-11(24-2)8-14(13)20(22)23/h3-9H,1-2H3,(H,19,21)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide?
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide has a molecular weight of 413.20 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 8728702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).