2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide

C13H17BrN2O2 — CID 54916019

IUPAC2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
SMILESCOc1ccc(C(NCC2CC2)C(N)=O)cc1Br
InChIInChI=1S/C13H17BrN2O2/c1-18-11-5-4-9(6-10(11)14)12(13(15)17)16-7-8-2-3-8/h4-6,8,12,16H,2-3,7H2,1H3,(H2,15,17)
InChIKeyUZEUIKZBGBIZMT-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.98
Rot. Bonds6

About 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide

2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 54916019) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID54916019
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
SMILESCOc1ccc(C(NCC2CC2)C(N)=O)cc1Br
InChIInChI=1S/C13H17BrN2O2/c1-18-11-5-4-9(6-10(11)14)12(13(15)17)16-7-8-2-3-8/h4-6,8,12,16H,2-3,7H2,1H3,(H2,15,17)
InChIKeyUZEUIKZBGBIZMT-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60995391
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
2-(cyclopropylmethylamino)-2-(2,4,6-trimethoxyphenyl)acetamide
CID 60995248
2-(cyclopropylmethylamino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 54894829
2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62119932
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide (CID 54916019) is 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide is COc1ccc(C(NCC2CC2)C(N)=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is UZEUIKZBGBIZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-11-5-4-9(6-10(11)14)12(13(15)17)16-7-8-2-3-8/h4-6,8,12,16H,2-3,7H2,1H3,(H2,15,17).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide?
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 313.19 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 54916019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).