2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide

C10H13BrN2O2 — CID 119297083

IUPAC2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(Br)c(CNC(=O)CN)c1
InChIInChI=1S/C10H13BrN2O2/c1-15-8-2-3-9(11)7(4-8)6-13-10(14)5-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyZHFQZVNIVDZGRY-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide

2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide (PubChem CID 119297083) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
PubChem CID119297083
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(Br)c(CNC(=O)CN)c1
InChIInChI=1S/C10H13BrN2O2/c1-15-8-2-3-9(11)7(4-8)6-13-10(14)5-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyZHFQZVNIVDZGRY-UHFFFAOYSA-N
XLogP1.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47328613
methyl 2-[(2-bromo-5-methoxyphenyl)methylamino]propanoate
CID 65323693
2-[(2-bromo-5-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 65323999
3-[(2-bromo-5-methoxyphenyl)methylamino]-N-methylpropanamide
CID 65323934
(2S,5R)-5-(aminomethyl)-N-[(2-bromo-5-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120788732
N-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166415743
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65323932
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide (CID 119297083) is 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide is COc1ccc(Br)c(CNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide?
The InChIKey is ZHFQZVNIVDZGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-15-8-2-3-9(11)7(4-8)6-13-10(14)5-12/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide?
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide has a molecular weight of 273.13 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 119297083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).