N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide

C12H16BrNO3 — CID 22457109

IUPACN-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide
SMILESCCC(Br)Oc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C12H16BrNO3/c1-4-12(13)17-11-7-9(14-8(2)15)5-6-10(11)16-3/h5-7,12H,4H2,1-3H3,(H,14,15)
InChIKeyPWWFVCSEOKXZAH-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.16
Rot. Bonds5

About N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide

N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide (PubChem CID 22457109) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide
PubChem CID22457109
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide
SMILESCCC(Br)Oc1cc(NC(C)=O)ccc1OC
InChIInChI=1S/C12H16BrNO3/c1-4-12(13)17-11-7-9(14-8(2)15)5-6-10(11)16-3/h5-7,12H,4H2,1-3H3,(H,14,15)
InChIKeyPWWFVCSEOKXZAH-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
CID 82489606
N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
CID 88915095
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(5-acetamido-2-methoxyanilino)butanoic acid
CID 115352715
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-(4-methoxy-3-methylsulfanylphenyl)acetamide
CID 593064
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
N-(3,4-diethoxyphenyl)acetamide
CID 13120229

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide (CID 22457109) is N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide is CCC(Br)Oc1cc(NC(C)=O)ccc1OC.
What is the InChIKey of N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide?
The InChIKey is PWWFVCSEOKXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-4-12(13)17-11-7-9(14-8(2)15)5-6-10(11)16-3/h5-7,12H,4H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide?
N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide has a molecular weight of 302.17 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 22457109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).