2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide

C14H17BrN2O3 — CID 116541398

IUPAC2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)c1cc(Br)cc(N)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H17BrN2O3/c1-8(18)11-4-10(15)5-12(16)14(11)20-7-13(19)17-6-9-2-3-9/h4-5,9H,2-3,6-7,16H2,1H3,(H,17,19)
InChIKeyWPHKAYCCFYOHFU-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide

2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 116541398) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID116541398
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)c1cc(Br)cc(N)c1OCC(=O)NCC1CC1
InChIInChI=1S/C14H17BrN2O3/c1-8(18)11-4-10(15)5-12(16)14(11)20-7-13(19)17-6-9-2-3-9/h4-5,9H,2-3,6-7,16H2,1H3,(H,17,19)
InChIKeyWPHKAYCCFYOHFU-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
CID 116541385
2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide
CID 116541403
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
5-bromo-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82911753
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2,4-dimethylbenzoate
CID 102706148
1-[3-amino-5-bromo-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541361
[2-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 61390308
1-[3-amino-5-bromo-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 116541300

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide (CID 116541398) is 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide is CC(=O)c1cc(Br)cc(N)c1OCC(=O)NCC1CC1.
What is the InChIKey of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is WPHKAYCCFYOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-8(18)11-4-10(15)5-12(16)14(11)20-7-13(19)17-6-9-2-3-9/h4-5,9H,2-3,6-7,16H2,1H3,(H,17,19).
What are the key properties of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide?
2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 341.21 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 116541398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).