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

C11H15BrN2O2 — CID 43713382

IUPAC2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CN)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-7(14-11(15)6-13)8-3-4-10(16-2)9(12)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyVPXDBZZFKCSYNA-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide

2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide (PubChem CID 43713382) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
PubChem CID43713382
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CN)cc1Br
InChIInChI=1S/C11H15BrN2O2/c1-7(14-11(15)6-13)8-3-4-10(16-2)9(12)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyVPXDBZZFKCSYNA-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 81489289
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 84884828
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119273672
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461
N-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46433680
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
CID 43713410

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide (CID 43713382) is 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)CN)cc1Br.
What is the InChIKey of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is VPXDBZZFKCSYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(14-11(15)6-13)8-3-4-10(16-2)9(12)5-8/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide?
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 287.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43713382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).