3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide

C10H8ClN5O3 — CID 12962762

IUPAC3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cc(Cl)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C10H8ClN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)9(19)12-10-13-15-16-14-10/h2-3,18H,1H3,(H2,12,13,14,15,16,19)
InChIKeyKBJNSIYNUQMRSN-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.01
Rot. Bonds3

About 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide

3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 12962762) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID12962762
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cc(Cl)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C10H8ClN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)9(19)12-10-13-15-16-14-10/h2-3,18H,1H3,(H2,12,13,14,15,16,19)
InChIKeyKBJNSIYNUQMRSN-UHFFFAOYSA-N
XLogP1.01
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962778
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781
2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 12962784
3-acetyl-2-hydroxy-5-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026871
3-acetyl-5-ethyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026885
3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13026888
3-Acetyl-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 13026889
3-acetyl-5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13026890
3-acetyl-2-hydroxy-5-propyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026891
5-ethyl-2-hydroxy-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026892
2-hydroxy-5-methyl-3-propanoyl-N-(2H-tetrazol-5-yl)benzamide
CID 13026893
3-acetyl-2-hydroxy-5-(2-methylpropyl)-N-(2H-tetrazol-5-yl)benzamide
CID 13596085

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (CID 12962762) is 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is CC(=O)c1cc(Cl)cc(C(=O)Nc2nn[nH]n2)c1O.
What is the InChIKey of 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KBJNSIYNUQMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)9(19)12-10-13-15-16-14-10/h2-3,18H,1H3,(H2,12,13,14,15,16,19).
What are the key properties of 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 281.66 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-chloro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 12962762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).