N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide

C17H17BrN2O2 — CID 54821614

IUPACN-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-2-10-22-16-8-6-14(7-9-16)19-12-17(21)20-15-5-3-4-13(18)11-15/h2-9,11,19H,1,10,12H2,(H,20,21)
InChIKeyKXGDGKDMQGEVMP-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.06
Rot. Bonds7

About N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide

N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821614) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821614
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-2-10-22-16-8-6-14(7-9-16)19-12-17(21)20-15-5-3-4-13(18)11-15/h2-9,11,19H,1,10,12H2,(H,20,21)
InChIKeyKXGDGKDMQGEVMP-UHFFFAOYSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547
N-(3-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 126166086
N-(2-methoxyethyl)-3-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54836232
N,N-dimethyl-3-[3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54821485

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide (CID 54821614) is N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is KXGDGKDMQGEVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-2-10-22-16-8-6-14(7-9-16)19-12-17(21)20-15-5-3-4-13(18)11-15/h2-9,11,19H,1,10,12H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide?
N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 361.24 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).