N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

C17H17BrN2O2 — CID 19189565

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-2-13-6-8-16(9-7-13)22-12-17(21)20-19-11-14-4-3-5-15(18)10-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+
InChIKeyPRLIPTQWGRXDCF-YBFXNURJSA-N
MW361.24 g/mol
LogP3.54
Rot. Bonds6

About N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 19189565) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID19189565
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-2-13-6-8-16(9-7-13)22-12-17(21)20-19-11-14-4-3-5-15(18)10-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+
InChIKeyPRLIPTQWGRXDCF-YBFXNURJSA-N
XLogP3.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(4-ethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924443
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992119
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
[2-methoxy-4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4609095
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 4216384
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 19189565) is N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)cc1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is PRLIPTQWGRXDCF-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-2-13-6-8-16(9-7-13)22-12-17(21)20-19-11-14-4-3-5-15(18)10-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 361.24 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 19189565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).