2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide

C12H15BrN2O2 — CID 65430722

IUPAC2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESNc1cc(Br)ccc1OCC(=O)NCC1CC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-4-11(10(14)5-9)17-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKeyCCJYGKGQHWTZQB-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide

2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 65430722) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID65430722
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESNc1cc(Br)ccc1OCC(=O)NCC1CC1
InChIInChI=1S/C12H15BrN2O2/c13-9-3-4-11(10(14)5-9)17-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16)
InChIKeyCCJYGKGQHWTZQB-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
2-(2-amino-4-bromophenoxy)-N-ethylacetamide
CID 65430348
2-(2,4-dibromophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122198
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907106
2-(2-amino-4-bromophenoxy)-N-benzylacetamide
CID 65429040
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
2-(2-amino-4-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81185083
2-(4-bromo-2-fluorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005157
2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 116541398
3-bromo-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910326
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide (CID 65430722) is 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide is Nc1cc(Br)ccc1OCC(=O)NCC1CC1.
What is the InChIKey of 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is CCJYGKGQHWTZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-3-4-11(10(14)5-9)17-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7,14H2,(H,15,16).
What are the key properties of 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 299.17 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 65430722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).