3-chloro-N-(1-propyltetrazol-5-yl)benzamide

C11H12ClN5O — CID 965794

IUPAC3-chloro-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18)
InChIKeyIBRCUOMIAFDQTM-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.99
Rot. Bonds4

About 3-chloro-N-(1-propyltetrazol-5-yl)benzamide

3-chloro-N-(1-propyltetrazol-5-yl)benzamide (PubChem CID 965794) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-chloro-N-(1-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-propyltetrazol-5-yl)benzamide
PubChem CID965794
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name3-chloro-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18)
InChIKeyIBRCUOMIAFDQTM-UHFFFAOYSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
2-Chloro-N-(1-methyl-1H-tetrazol-5-yl)-benzamide
CID 5076145
2,5-dichloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 935984
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
CID 892383
2,5-dichloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936202
2-Chloro-4-methyl-N-(1-propyl-1H-tetrazol-5-yl)-benzamide
CID 954521
2-chloro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135513634
N-(2-ethyltetrazol-5-yl)benzamide
CID 953778
3-Chloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 956334
N-[7-(4-chlorophenyl)-5-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
CID 3348425
2-fluoro-N-(1-methyl-1H-tetrazol-5-yl)benzamide
CID 685446

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-propyltetrazol-5-yl)benzamide (CID 965794) is 3-chloro-N-(1-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-propyltetrazol-5-yl)benzamide is CCCn1nnnc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-propyltetrazol-5-yl)benzamide?
The InChIKey is IBRCUOMIAFDQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18).
What are the key properties of 3-chloro-N-(1-propyltetrazol-5-yl)benzamide?
3-chloro-N-(1-propyltetrazol-5-yl)benzamide has a molecular weight of 265.70 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 965794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).