2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide

C13H14BrN5O2 — CID 166207405

IUPAC2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC(c1nn[nH]n1)C1CC1
InChIInChI=1S/C13H14BrN5O2/c14-9-3-5-10(6-4-9)21-7-11(20)15-12(8-1-2-8)13-16-18-19-17-13/h3-6,8,12H,1-2,7H2,(H,15,20)(H,16,17,18,19)
InChIKeyOZTJIALXTSRVJQ-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.61
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide

2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide (PubChem CID 166207405) has the molecular formula C13H14BrN5O2 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide
PubChem CID166207405
Molecular FormulaC13H14BrN5O2
Molecular Weight352.19 g/mol
Exact Mass351.03
IUPAC Name2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC(c1nn[nH]n1)C1CC1
InChIInChI=1S/C13H14BrN5O2/c14-9-3-5-10(6-4-9)21-7-11(20)15-12(8-1-2-8)13-16-18-19-17-13/h3-6,8,12H,1-2,7H2,(H,15,20)(H,16,17,18,19)
InChIKeyOZTJIALXTSRVJQ-UHFFFAOYSA-N
XLogP1.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64913623
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 166312516
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide (CID 166207405) is 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide is O=C(COc1ccc(Br)cc1)NC(c1nn[nH]n1)C1CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide?
The InChIKey is OZTJIALXTSRVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O2/c14-9-3-5-10(6-4-9)21-7-11(20)15-12(8-1-2-8)13-16-18-19-17-13/h3-6,8,12H,1-2,7H2,(H,15,20)(H,16,17,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide?
2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide has a molecular weight of 352.19 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166207405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).