3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H9BrClN5O — CID 107939725

IUPAC3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1)c1nn[nH]n1
InChIInChI=1S/C10H9BrClN5O/c1-5(9-14-16-17-15-9)13-10(18)6-2-7(11)4-8(12)3-6/h2-5H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyJXEPXHCSSINFQL-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.11
Rot. Bonds3

About 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 107939725) has the molecular formula C10H9BrClN5O and a molecular weight of 330.57 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID107939725
Molecular FormulaC10H9BrClN5O
Molecular Weight330.57 g/mol
Exact Mass328.97
IUPAC Name3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1)c1nn[nH]n1
InChIInChI=1S/C10H9BrClN5O/c1-5(9-14-16-17-15-9)13-10(18)6-2-7(11)4-8(12)3-6/h2-5H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyJXEPXHCSSINFQL-UHFFFAOYSA-N
XLogP2.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62160244
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 107939725) is 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)cc(Br)c1)c1nn[nH]n1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is JXEPXHCSSINFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5O/c1-5(9-14-16-17-15-9)13-10(18)6-2-7(11)4-8(12)3-6/h2-5H,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 330.57 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 107939725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).