N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide

C14H21BrN2O3 — CID 43376800

IUPACN-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
SMILESCCCCOCCOCC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-2-3-6-19-7-8-20-10-14(18)17-13-5-4-11(16)9-12(13)15/h4-5,9H,2-3,6-8,10,16H2,1H3,(H,17,18)
InChIKeyKLAGRYNRMWCSDE-UHFFFAOYSA-N
MW345.24 g/mol
LogP2.80
Rot. Bonds9

About N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide

N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide (PubChem CID 43376800) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
PubChem CID43376800
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC NameN-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
SMILESCCCCOCCOCC(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C14H21BrN2O3/c1-2-3-6-19-7-8-20-10-14(18)17-13-5-4-11(16)9-12(13)15/h4-5,9H,2-3,6-8,10,16H2,1H3,(H,17,18)
InChIKeyKLAGRYNRMWCSDE-UHFFFAOYSA-N
XLogP2.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.80
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

N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
2-(2-aminoethoxy)-N-(2,4-dibromophenyl)acetamide
CID 79473463
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 43376506
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide (CID 43376800) is N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide is CCCCOCCOCC(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide?
The InChIKey is KLAGRYNRMWCSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-2-3-6-19-7-8-20-10-14(18)17-13-5-4-11(16)9-12(13)15/h4-5,9H,2-3,6-8,10,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide?
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide has a molecular weight of 345.24 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide is sourced from PubChem (CID 43376800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).