2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide

C14H19BrN2O3 — CID 116541403

IUPAC2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1c(N)cc(Br)cc1C(C)=O
InChIInChI=1S/C14H19BrN2O3/c1-3-4-5-17-13(19)8-20-14-11(9(2)18)6-10(15)7-12(14)16/h6-7H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyXBQYJGFEYLRVPG-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.53
Rot. Bonds7

About 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide

2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide (PubChem CID 116541403) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide
PubChem CID116541403
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide
SMILESCCCCNC(=O)COc1c(N)cc(Br)cc1C(C)=O
InChIInChI=1S/C14H19BrN2O3/c1-3-4-5-17-13(19)8-20-14-11(9(2)18)6-10(15)7-12(14)16/h6-7H,3-5,8,16H2,1-2H3,(H,17,19)
InChIKeyXBQYJGFEYLRVPG-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
CID 116541385
2-(2-acetyl-6-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 116541398
[2-(butylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149205
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-butylacetamide
CID 107741383
[2-oxo-2-(pentylamino)ethyl] 2-amino-5-bromobenzoate
CID 8808804
2-[2-(aminomethyl)-6-bromophenoxy]-N-butylacetamide
CID 54956433
N-butyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742106
2-(2-amino-6-bromo-4-chlorophenoxy)-N-propylacetamide
CID 43379167
1-[3-amino-5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanone
CID 116541331
1-[3-amino-5-bromo-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541361
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide?
The IUPAC name of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide (CID 116541403) is 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide.
What is the SMILES notation for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide?
The canonical SMILES for 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide is CCCCNC(=O)COc1c(N)cc(Br)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide?
The InChIKey is XBQYJGFEYLRVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-4-5-17-13(19)8-20-14-11(9(2)18)6-10(15)7-12(14)16/h6-7H,3-5,8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide?
2-(2-acetyl-6-amino-4-bromophenoxy)-N-butylacetamide has a molecular weight of 343.22 g/mol, XLogP of 2.53, 7 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-butylacetamide is sourced from PubChem (CID 116541403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).