N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide

C14H16BrNO3 — CID 142881502

IUPACN-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide
SMILESC/C=C\C(=C/CO)Oc1ccc(Br)cc1NC(C)=O
InChIInChI=1S/C14H16BrNO3/c1-3-4-12(7-8-17)19-14-6-5-11(15)9-13(14)16-10(2)18/h3-7,9,17H,8H2,1-2H3,(H,16,18)/b4-3-,12-7+
InChIKeyJJLBSROQTDXVNO-MJXUXYKOSA-N
MW326.19 g/mol
LogP3.24
Rot. Bonds5

About N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide

N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide (PubChem CID 142881502) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide
PubChem CID142881502
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC NameN-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide
SMILESC/C=C\C(=C/CO)Oc1ccc(Br)cc1NC(C)=O
InChIInChI=1S/C14H16BrNO3/c1-3-4-12(7-8-17)19-14-6-5-11(15)9-13(14)16-10(2)18/h3-7,9,17H,8H2,1-2H3,(H,16,18)/b4-3-,12-7+
InChIKeyJJLBSROQTDXVNO-MJXUXYKOSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-bromo-2-methylphenyl)but-2-enamide
CID 43806497
N-(5-bromo-2-chlorophenyl)but-2-enamide
CID 76977308
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
methyl (E)-4-(2,4-dibromoanilino)-2-methylbut-2-enoate
CID 103247272
(E)-N-(4-bromo-2-cyanophenyl)but-2-enamide
CID 82708502
N-(4-bromo-2-diethoxyphosphorylphenyl)acetamide
CID 21065097
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(2-acetamido-5-bromophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757138
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 110930838

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide?
The IUPAC name of N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide (CID 142881502) is N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide is C/C=C\C(=C/CO)Oc1ccc(Br)cc1NC(C)=O.
What is the InChIKey of N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide?
The InChIKey is JJLBSROQTDXVNO-MJXUXYKOSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-3-4-12(7-8-17)19-14-6-5-11(15)9-13(14)16-10(2)18/h3-7,9,17H,8H2,1-2H3,(H,16,18)/b4-3-,12-7+.
What are the key properties of N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide?
N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide has a molecular weight of 326.19 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[(2E,4Z)-1-hydroxyhexa-2,4-dien-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 142881502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).