N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide

C11H12BrN5O2 — CID 52712978

IUPACN-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCOc1cccc(Br)c1
InChIInChI=1S/C11H12BrN5O2/c12-9-2-1-3-10(6-9)19-5-4-13-11(18)7-17-8-14-15-16-17/h1-3,6,8H,4-5,7H2,(H,13,18)
InChIKeySAPTWSYXTUDAJQ-UHFFFAOYSA-N
MW326.15 g/mol
LogP0.63
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 52712978) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID52712978
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCCOc1cccc(Br)c1
InChIInChI=1S/C11H12BrN5O2/c12-9-2-1-3-10(6-9)19-5-4-13-11(18)7-17-8-14-15-16-17/h1-3,6,8H,4-5,7H2,(H,13,18)
InChIKeySAPTWSYXTUDAJQ-UHFFFAOYSA-N
XLogP0.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507
N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 51105980
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
2-[4-[4-(3-bromophenoxy)butanoyl]piperazin-1-yl]-N-propylacetamide
CID 134014552

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide (CID 52712978) is N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is SAPTWSYXTUDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c12-9-2-1-3-10(6-9)19-5-4-13-11(18)7-17-8-14-15-16-17/h1-3,6,8H,4-5,7H2,(H,13,18).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 326.15 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 52712978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).