2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide

C14H16BrN5O — CID 8598098

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1)C1CC1
InChIInChI=1S/C14H16BrN5O/c1-9(10-2-3-10)16-13(21)8-20-18-14(17-19-20)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,16,21)/t9-/m1/s1
InChIKeyMWLYZKGJGPZDKI-SECBINFHSA-N
MW350.22 g/mol
LogP2.02
Rot. Bonds5

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 8598098) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID8598098
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1)C1CC1
InChIInChI=1S/C14H16BrN5O/c1-9(10-2-3-10)16-13(21)8-20-18-14(17-19-20)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,16,21)/t9-/m1/s1
InChIKeyMWLYZKGJGPZDKI-SECBINFHSA-N
XLogP2.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996563
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
N-[(1R)-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813253
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 41436763
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
CID 8598093
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylbenzamide
CID 36982859
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide (CID 8598098) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide is C[C@@H](NC(=O)Cn1nnc(-c2ccc(Br)cc2)n1)C1CC1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is MWLYZKGJGPZDKI-SECBINFHSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-9(10-2-3-10)16-13(21)8-20-18-14(17-19-20)11-4-6-12(15)7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,16,21)/t9-/m1/s1.
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 350.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 8598098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).