N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide

C11H14BrNO2 — CID 47119084

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(C)=O)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-7(13-8(2)14)9-4-5-11(15-3)10(12)6-9/h4-7H,1-3H3,(H,13,14)
InChIKeyJONIOYIWNXCHMV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.65
Rot. Bonds3

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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide (PubChem CID 47119084) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
PubChem CID47119084
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(C)=O)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-7(13-8(2)14)9-4-5-11(15-3)10(12)6-9/h4-7H,1-3H3,(H,13,14)
InChIKeyJONIOYIWNXCHMV-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
(2S)-N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-prop-2-enoxypropanamide
CID 94818734
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-prop-2-enoxypropanamide
CID 48850979
(3R)-3-acetamido-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 8963040
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
(E)-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8962900
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 9001696
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide (CID 47119084) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(C)=O)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is JONIOYIWNXCHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(13-8(2)14)9-4-5-11(15-3)10(12)6-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 272.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 47119084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).