4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide

C19H21BrN2O5 — CID 19202481

IUPAC4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C19H21BrN2O5/c1-3-13-6-9-18(15(20)11-13)27-10-4-5-19(23)21-16-8-7-14(26-2)12-17(16)22(24)25/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,23)
InChIKeyGCZHXGAIURANAS-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.73
Rot. Bonds9

About 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide

4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide (PubChem CID 19202481) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide
PubChem CID19202481
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide
SMILESCCc1ccc(OCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C19H21BrN2O5/c1-3-13-6-9-18(15(20)11-13)27-10-4-5-19(23)21-16-8-7-14(26-2)12-17(16)22(24)25/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,23)
InChIKeyGCZHXGAIURANAS-UHFFFAOYSA-N
XLogP4.73
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19202489
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
4-(2-bromo-4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19202280
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 8537580
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide (CID 19202481) is 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide is CCc1ccc(OCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide?
The InChIKey is GCZHXGAIURANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-3-13-6-9-18(15(20)11-13)27-10-4-5-19(23)21-16-8-7-14(26-2)12-17(16)22(24)25/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide?
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide has a molecular weight of 437.29 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide is sourced from PubChem (CID 19202481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).