4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide

C19H20Br2N2O2 — CID 19208191

IUPAC4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
SMILESCCc1ccc(OCCCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C19H20Br2N2O2/c1-2-14-7-10-18(17(21)12-14)25-11-3-4-19(24)23-22-13-15-5-8-16(20)9-6-15/h5-10,12-13H,2-4,11H2,1H3,(H,23,24)/b22-13+
InChIKeyKATKJPTYRTVWTI-LPYMAVHISA-N
MW468.19 g/mol
LogP5.08
Rot. Bonds8

About 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide

4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide (PubChem CID 19208191) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
PubChem CID19208191
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
SMILESCCc1ccc(OCCCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C19H20Br2N2O2/c1-2-14-7-10-18(17(21)12-14)25-11-3-4-19(24)23-22-13-15-5-8-16(20)9-6-15/h5-10,12-13H,2-4,11H2,1H3,(H,23,24)/b22-13+
InChIKeyKATKJPTYRTVWTI-LPYMAVHISA-N
XLogP5.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.19
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-ethoxyphenyl)methylideneamino]butanamide
CID 19208210
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]butanamide
CID 19208220
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]butanamide
CID 19208201
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]butanamide
CID 19208259
4-(2-bromo-4-ethylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]butanamide
CID 19208240
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(2-ethoxyphenyl)methylideneamino]butanamide
CID 19208224
4-(2-bromo-4-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]butanamide
CID 19208237
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
4-(2-bromo-4-ethylphenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]butanamide
CID 19208236
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
4-(2-bromo-4-ethylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]butanamide
CID 19208235
2-(2-bromo-4-ethylphenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4627721

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide (CID 19208191) is 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide is CCc1ccc(OCCCC(=O)N/N=C/c2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide?
The InChIKey is KATKJPTYRTVWTI-LPYMAVHISA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c1-2-14-7-10-18(17(21)12-14)25-11-3-4-19(24)23-22-13-15-5-8-16(20)9-6-15/h5-10,12-13H,2-4,11H2,1H3,(H,23,24)/b22-13+.
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide?
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide has a molecular weight of 468.19 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide is sourced from PubChem (CID 19208191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).