2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H9BrClN5O — CID 114024530

IUPAC2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)c1nn[nH]n1
InChIInChI=1S/C10H9BrClN5O/c1-5(9-14-16-17-15-9)13-10(18)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyRGLSOGYTTKLEKA-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.11
Rot. Bonds3

About 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 114024530) has the molecular formula C10H9BrClN5O and a molecular weight of 330.57 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID114024530
Molecular FormulaC10H9BrClN5O
Molecular Weight330.57 g/mol
Exact Mass328.97
IUPAC Name2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1Br)c1nn[nH]n1
InChIInChI=1S/C10H9BrClN5O/c1-5(9-14-16-17-15-9)13-10(18)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyRGLSOGYTTKLEKA-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

5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 107939725
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-(1-acetylpiperidin-4-yl)oxy-5-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97284805
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 114024530) is 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1Br)c1nn[nH]n1.
What is the InChIKey of 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is RGLSOGYTTKLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN5O/c1-5(9-14-16-17-15-9)13-10(18)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
2-bromo-4-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 2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 114024530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).