N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide

C10H10BrN5O — CID 56919922

IUPACN-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)n1cnnn1
InChIInChI=1S/C10H10BrN5O/c1-7(16-6-12-14-15-16)10(17)13-9-4-2-8(11)3-5-9/h2-7H,1H3,(H,13,17)
InChIKeyYIYVYICMSWXCEY-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.64
Rot. Bonds3

About N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide

N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide (PubChem CID 56919922) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide
PubChem CID56919922
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC NameN-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)n1cnnn1
InChIInChI=1S/C10H10BrN5O/c1-7(16-6-12-14-15-16)10(17)13-9-4-2-8(11)3-5-9/h2-7H,1H3,(H,13,17)
InChIKeyYIYVYICMSWXCEY-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide (CID 56919922) is N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide is CC(C(=O)Nc1ccc(Br)cc1)n1cnnn1.
What is the InChIKey of N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide?
The InChIKey is YIYVYICMSWXCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-7(16-6-12-14-15-16)10(17)13-9-4-2-8(11)3-5-9/h2-7H,1H3,(H,13,17).
What are the key properties of N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide?
N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide has a molecular weight of 296.13 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 56919922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).